REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3n6x_1_A DATA FIRST_RESID 6 DATA SEQUENCE TKPFDEXFLQ DEVIRPIYAE YAAWLQDVPH QQLESKRQEA ELLFRRVGIT DATA SEQUENCE FXXXXXXXXX XXLIPFDVVP RILSASEWAR LSDGAIQRVK ALNXFLHDVY DATA SEQUENCE HDQEIIKAGI VPSSILANAQ YRPEXFGVDV PGGVYAHIAG VDLVRTGEND DATA SEQUENCE FYVLEDNLRT PSGVSYXLEN RKXXXRLFPE LFRRYPVAPV EHYPQVLLNN DATA SEQUENCE LRAVAQAGVH EPTVVLLTPG AYNSAYFEHA FIAQQXGIEL VEGQDLFVRN DATA SEQUENCE NAVYXRTTEG PKRVDVIYRR IDDDFIDPLS FRPDSXLGVP GLLSVYRNGG DATA SEQUENCE VTLANAVGTG VADDKDTYIY VPEXIRFYLG EEPILSNVPT YQLSKADDLK DATA SEQUENCE YVLDNLAELV VKEVQXXXXX GXLVGPAASK QELEDFRQRI LANPANYIAQ DATA SEQUENCE PTLALSTCPT LVETGIAPRH VDLRPFVLSG KTVSLVPGAL CRVALREGSL DATA SEQUENCE VVNSSQGGGT KDTWILK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.713 174.700 0.021 0.000 1.109 6 T CA 0.000 62.112 62.100 0.019 0.000 1.349 6 T CB 0.000 68.880 68.868 0.020 0.000 0.612 7 K N 2.326 122.741 120.400 0.026 0.000 2.340 7 K HA 1.008 5.329 4.320 0.001 0.000 0.244 7 K C -2.814 173.818 176.600 0.053 0.000 0.973 7 K CA -1.579 54.724 56.287 0.026 0.000 0.828 7 K CB -0.081 32.420 32.500 0.001 0.000 1.226 7 K HN 0.613 nan 8.250 nan 0.000 0.437 8 P HA 0.239 nan 4.420 nan 0.000 0.271 8 P C -0.433 176.936 177.300 0.115 0.000 1.216 8 P CA -0.523 62.649 63.100 0.119 0.000 0.776 8 P CB -0.022 31.786 31.700 0.180 0.000 0.881 9 F N 2.244 122.203 119.950 0.016 0.000 2.612 9 F HA -0.030 4.498 4.527 0.001 0.000 0.389 9 F C 0.496 176.292 175.800 -0.007 0.000 1.055 9 F CA 0.179 58.180 58.000 0.002 0.000 1.232 9 F CB 0.027 39.019 39.000 -0.013 0.000 1.044 9 F HN 0.309 nan 8.300 nan 0.000 0.560 10 D N 5.349 125.343 120.400 -0.677 0.000 2.168 10 D HA 0.169 4.809 4.640 0.001 0.000 0.246 10 D C -0.324 175.453 176.300 -0.872 0.000 1.050 10 D CA -0.553 53.117 54.000 -0.550 0.000 0.857 10 D CB 0.901 41.542 40.800 -0.265 0.000 1.169 10 D HN 0.472 nan 8.370 nan 0.000 0.453 14 L N 1.794 123.039 121.223 0.038 0.000 2.553 14 L HA 0.261 4.602 4.340 0.001 0.000 0.185 14 L C 2.257 179.140 176.870 0.023 0.000 1.137 14 L CA 1.063 55.908 54.840 0.008 0.000 0.919 14 L CB 0.123 42.208 42.059 0.043 0.000 1.560 14 L HN 0.875 nan 8.230 nan 0.000 0.515 15 Q N -0.058 119.764 119.800 0.036 0.000 2.133 15 Q HA -0.163 4.178 4.340 0.001 0.000 0.208 15 Q C 1.088 177.100 176.000 0.019 0.000 0.991 15 Q CA 2.574 58.397 55.803 0.034 0.000 0.867 15 Q CB -1.763 27.000 28.738 0.041 0.000 0.911 15 Q HN 0.854 nan 8.270 nan 0.000 0.417 16 D N -0.741 119.673 120.400 0.023 0.000 2.463 16 D HA 0.409 5.049 4.640 0.001 0.000 0.247 16 D C 1.070 177.372 176.300 0.003 0.000 1.240 16 D CA 0.358 54.362 54.000 0.008 0.000 1.151 16 D CB -0.087 40.721 40.800 0.012 0.000 1.180 16 D HN 0.354 nan 8.370 nan 0.000 0.532 17 E N -0.915 119.284 120.200 -0.001 0.000 2.476 17 E HA 0.234 4.584 4.350 0.001 0.000 0.196 17 E C -0.064 176.613 176.600 0.128 0.000 1.029 17 E CA -0.146 56.244 56.400 -0.017 0.000 0.896 17 E CB -0.001 29.644 29.700 -0.093 0.000 1.012 17 E HN 0.358 nan 8.360 nan 0.000 0.475 18 V N 1.840 121.823 119.914 0.115 0.000 2.694 18 V HA -0.028 4.092 4.120 0.001 0.000 0.306 18 V C 0.872 177.065 176.094 0.165 0.000 1.054 18 V CA 0.225 62.598 62.300 0.122 0.000 1.161 18 V CB 0.342 32.210 31.823 0.075 0.000 0.916 18 V HN 0.115 nan 8.190 nan 0.000 0.490 19 I N 4.839 125.487 120.570 0.130 0.000 2.428 19 I HA 0.305 4.475 4.170 0.001 0.000 0.289 19 I C 0.925 177.058 176.117 0.027 0.000 1.019 19 I CA -0.203 61.112 61.300 0.026 0.000 1.351 19 I CB 0.559 38.572 38.000 0.021 0.000 1.412 19 I HN 0.544 nan 8.210 nan 0.000 0.513 20 R N 6.809 127.304 120.500 -0.008 0.000 2.522 20 R HA 0.055 4.396 4.340 0.001 0.000 0.284 20 R C -1.438 174.928 176.300 0.110 0.000 1.032 20 R CA -1.118 55.020 56.100 0.062 0.000 1.049 20 R CB 0.218 30.562 30.300 0.073 0.000 0.956 20 R HN 0.374 nan 8.270 nan 0.000 0.422 21 P HA -0.265 nan 4.420 nan 0.000 0.218 21 P C 1.115 178.486 177.300 0.119 0.000 1.154 21 P CA 1.349 64.507 63.100 0.097 0.000 0.872 21 P CB 0.040 31.789 31.700 0.082 0.000 0.790 22 I N -2.842 117.811 120.570 0.138 0.000 2.361 22 I HA -0.253 3.918 4.170 0.001 0.000 0.251 22 I C 1.504 177.697 176.117 0.127 0.000 1.133 22 I CA 1.530 62.906 61.300 0.126 0.000 1.413 22 I CB -0.057 37.989 38.000 0.076 0.000 1.073 22 I HN -0.072 nan 8.210 nan 0.000 0.424 23 Y N -0.239 120.126 120.300 0.108 0.000 2.457 23 Y HA 0.279 4.830 4.550 0.001 0.000 0.263 23 Y C 2.114 178.115 175.900 0.169 0.000 1.164 23 Y CA 0.373 58.539 58.100 0.111 0.000 1.274 23 Y CB -0.113 38.288 38.460 -0.099 0.000 1.097 23 Y HN 0.153 nan 8.280 nan 0.000 0.523 24 A N 0.227 123.189 122.820 0.237 0.000 1.865 24 A HA -0.261 4.059 4.320 0.001 0.000 0.217 24 A C 2.045 179.725 177.584 0.159 0.000 1.191 24 A CA 2.158 54.290 52.037 0.157 0.000 0.623 24 A CB -0.438 18.616 19.000 0.091 0.000 0.826 24 A HN 0.368 nan 8.150 nan 0.000 0.444 25 E N -1.399 118.870 120.200 0.114 0.000 2.110 25 E HA -0.203 4.147 4.350 0.001 0.000 0.193 25 E C 1.711 178.471 176.600 0.266 0.000 0.988 25 E CA 1.527 57.945 56.400 0.031 0.000 0.804 25 E CB -0.457 28.995 29.700 -0.412 0.000 0.745 25 E HN 0.710 nan 8.360 nan 0.000 0.458 26 Y N -0.123 120.407 120.300 0.384 0.000 2.263 26 Y HA -0.061 4.490 4.550 0.001 0.000 0.292 26 Y C 2.021 178.120 175.900 0.332 0.000 1.130 26 Y CA 1.567 59.896 58.100 0.381 0.000 1.179 26 Y CB -0.486 38.122 38.460 0.247 0.000 0.998 26 Y HN 0.110 nan 8.280 nan 0.000 0.532 27 A N 0.470 123.470 122.820 0.301 0.000 1.902 27 A HA -0.120 4.200 4.320 0.001 0.000 0.217 27 A C 2.404 180.036 177.584 0.079 0.000 1.181 27 A CA 1.810 53.946 52.037 0.166 0.000 0.623 27 A CB -1.460 17.637 19.000 0.163 0.000 0.818 27 A HN 0.582 nan 8.150 nan 0.000 0.443 28 A N -1.180 121.700 122.820 0.101 0.000 1.845 28 A HA -0.187 4.134 4.320 0.001 0.000 0.215 28 A C 2.029 179.642 177.584 0.049 0.000 1.195 28 A CA 1.673 53.748 52.037 0.063 0.000 0.616 28 A CB -1.160 17.882 19.000 0.070 0.000 0.832 28 A HN 0.912 nan 8.150 nan 0.000 0.443 29 W N 0.264 121.503 121.300 -0.101 0.000 2.321 29 W HA -0.204 4.456 4.660 0.001 0.000 0.306 29 W C 1.658 178.053 176.519 -0.207 0.000 1.217 29 W CA 1.953 59.215 57.345 -0.139 0.000 1.257 29 W CB -0.377 28.995 29.460 -0.147 0.000 1.145 29 W HN 0.279 nan 8.180 nan 0.000 0.509 30 L N 1.031 122.103 121.223 -0.251 0.000 2.083 30 L HA -0.208 4.132 4.340 0.001 0.000 0.209 30 L C 2.567 179.222 176.870 -0.359 0.000 1.083 30 L CA 2.139 56.705 54.840 -0.458 0.000 0.752 30 L CB -1.032 40.887 42.059 -0.234 0.000 0.899 30 L HN 0.150 nan 8.230 nan 0.000 0.433 31 Q N -0.936 118.738 119.800 -0.211 0.000 2.119 31 Q HA -0.183 4.158 4.340 0.001 0.000 0.201 31 Q C 1.437 177.317 176.000 -0.201 0.000 0.972 31 Q CA 1.561 57.272 55.803 -0.155 0.000 0.847 31 Q CB 0.022 28.714 28.738 -0.077 0.000 0.903 31 Q HN 0.522 nan 8.270 nan 0.000 0.433 32 D N -0.156 120.096 120.400 -0.247 0.000 2.348 32 D HA -0.042 4.598 4.640 0.001 0.000 0.216 32 D C 0.026 176.128 176.300 -0.329 0.000 0.970 32 D CA 0.256 54.111 54.000 -0.241 0.000 0.889 32 D CB 0.046 40.733 40.800 -0.188 0.000 0.912 32 D HN -0.020 nan 8.370 nan 0.000 0.524 33 V N 3.133 122.755 119.914 -0.487 0.000 2.475 33 V HA -0.013 4.107 4.120 0.001 0.000 0.292 33 V C -1.879 174.040 176.094 -0.292 0.000 1.003 33 V CA -0.865 61.146 62.300 -0.482 0.000 1.120 33 V CB -0.079 31.369 31.823 -0.625 0.000 0.937 33 V HN 0.019 nan 8.190 nan 0.000 0.476 34 P HA 0.107 nan 4.420 nan 0.000 0.264 34 P C 0.164 177.293 177.300 -0.285 0.000 1.193 34 P CA 0.509 63.398 63.100 -0.352 0.000 0.763 34 P CB 0.193 31.702 31.700 -0.319 0.000 0.810 35 H N 0.835 119.876 119.070 -0.047 0.000 1.452 35 H HA -0.187 4.369 4.556 0.001 0.000 0.090 35 H C 0.341 175.647 175.328 -0.036 0.000 1.982 35 H CA 0.441 56.471 56.048 -0.031 0.000 1.901 35 H CB -0.987 28.768 29.762 -0.012 0.000 2.257 35 H HN 0.548 nan 8.280 nan 0.000 0.961 36 Q N 0.851 120.728 119.800 0.128 0.000 2.307 36 Q HA 0.012 4.353 4.340 0.001 0.000 0.216 36 Q C 1.633 177.665 176.000 0.054 0.000 0.931 36 Q CA 0.144 55.980 55.803 0.056 0.000 0.953 36 Q CB -0.009 28.757 28.738 0.045 0.000 1.006 36 Q HN 0.353 nan 8.270 nan 0.000 0.472 37 Q N 0.287 120.126 119.800 0.065 0.000 2.112 37 Q HA -0.135 4.206 4.340 0.001 0.000 0.206 37 Q C 0.547 176.591 176.000 0.072 0.000 0.987 37 Q CA 1.052 56.901 55.803 0.077 0.000 0.858 37 Q CB 0.154 28.944 28.738 0.086 0.000 0.905 37 Q HN 0.424 nan 8.270 nan 0.000 0.420 38 L N 0.229 121.468 121.223 0.026 0.000 2.839 38 L HA 0.198 4.538 4.340 0.001 0.000 0.259 38 L C 0.512 177.397 176.870 0.026 0.000 1.369 38 L CA -0.151 54.715 54.840 0.043 0.000 0.845 38 L CB 0.651 42.728 42.059 0.030 0.000 1.181 38 L HN 0.093 nan 8.230 nan 0.000 0.529 39 E N -0.030 120.188 120.200 0.030 0.000 2.307 39 E HA 0.084 4.435 4.350 0.001 0.000 0.195 39 E C 0.519 177.136 176.600 0.028 0.000 0.975 39 E CA 0.334 56.747 56.400 0.021 0.000 0.878 39 E CB 0.898 30.606 29.700 0.013 0.000 0.845 39 E HN 0.546 nan 8.360 nan 0.000 0.488 40 S N -0.968 114.756 115.700 0.039 0.000 2.688 40 S HA 0.259 4.729 4.470 0.001 0.000 0.275 40 S C 0.404 175.036 174.600 0.053 0.000 1.175 40 S CA -0.879 57.343 58.200 0.036 0.000 0.818 40 S CB 2.002 65.218 63.200 0.025 0.000 1.157 40 S HN -0.042 nan 8.310 nan 0.000 0.482 41 K N 0.474 120.902 120.400 0.047 0.000 2.057 41 K HA -0.081 4.240 4.320 0.001 0.000 0.207 41 K C 2.203 178.851 176.600 0.080 0.000 1.049 41 K CA 1.110 57.435 56.287 0.064 0.000 0.931 41 K CB -0.265 32.263 32.500 0.046 0.000 0.714 41 K HN 0.602 nan 8.250 nan 0.000 0.440 42 R N 0.634 121.170 120.500 0.061 0.000 2.073 42 R HA -0.156 4.184 4.340 0.001 0.000 0.234 42 R C 2.227 178.569 176.300 0.071 0.000 1.134 42 R CA 1.939 58.074 56.100 0.058 0.000 0.952 42 R CB -0.067 30.256 30.300 0.037 0.000 0.850 42 R HN 0.335 nan 8.270 nan 0.000 0.433 43 Q N -0.269 119.574 119.800 0.072 0.000 2.172 43 Q HA -0.141 4.199 4.340 0.001 0.000 0.200 43 Q C 1.894 177.965 176.000 0.119 0.000 0.964 43 Q CA 1.417 57.271 55.803 0.084 0.000 0.855 43 Q CB 0.041 28.820 28.738 0.070 0.000 0.918 43 Q HN 0.409 nan 8.270 nan 0.000 0.444 44 E N 0.366 120.645 120.200 0.131 0.000 2.072 44 E HA -0.187 4.164 4.350 0.001 0.000 0.191 44 E C 1.795 178.515 176.600 0.199 0.000 0.985 44 E CA 0.994 57.501 56.400 0.180 0.000 0.801 44 E CB -0.041 29.762 29.700 0.171 0.000 0.750 44 E HN 0.353 nan 8.360 nan 0.000 0.452 45 A N 0.993 123.917 122.820 0.173 0.000 1.969 45 A HA -0.186 4.134 4.320 0.001 0.000 0.218 45 A C 1.898 179.574 177.584 0.153 0.000 1.169 45 A CA 1.472 53.609 52.037 0.168 0.000 0.635 45 A CB -0.381 18.702 19.000 0.138 0.000 0.810 45 A HN 0.315 nan 8.150 nan 0.000 0.445 46 E N -0.581 119.703 120.200 0.140 0.000 2.072 46 E HA -0.115 4.235 4.350 0.001 0.000 0.190 46 E C 1.998 178.711 176.600 0.188 0.000 0.982 46 E CA 0.985 57.477 56.400 0.154 0.000 0.803 46 E CB -0.215 29.551 29.700 0.110 0.000 0.755 46 E HN 0.626 nan 8.360 nan 0.000 0.453 47 L N 0.826 122.153 121.223 0.174 0.000 2.017 47 L HA -0.212 4.128 4.340 0.001 0.000 0.208 47 L C 2.202 179.169 176.870 0.162 0.000 1.073 47 L CA 1.215 56.162 54.840 0.179 0.000 0.745 47 L CB -0.079 42.117 42.059 0.228 0.000 0.894 47 L HN 0.153 nan 8.230 nan 0.000 0.432 48 L N -1.360 119.973 121.223 0.183 0.000 2.131 48 L HA -0.237 4.104 4.340 0.001 0.000 0.210 48 L C 2.326 179.247 176.870 0.084 0.000 1.092 48 L CA 1.263 56.186 54.840 0.139 0.000 0.759 48 L CB -0.497 41.664 42.059 0.171 0.000 0.903 48 L HN 0.310 nan 8.230 nan 0.000 0.435 49 F N 0.468 120.410 119.950 -0.014 0.000 2.118 49 F HA -0.102 4.425 4.527 0.001 0.000 0.293 49 F C 2.696 178.485 175.800 -0.018 0.000 1.102 49 F CA 1.236 59.212 58.000 -0.039 0.000 1.247 49 F CB -0.175 38.804 39.000 -0.036 0.000 1.017 49 F HN -0.191 nan 8.300 nan 0.000 0.475 50 R N 0.040 120.526 120.500 -0.024 0.000 2.091 50 R HA -0.150 4.190 4.340 0.001 0.000 0.238 50 R C 2.386 178.598 176.300 -0.146 0.000 1.136 50 R CA 1.923 57.964 56.100 -0.098 0.000 0.959 50 R CB -0.275 30.054 30.300 0.050 0.000 0.856 50 R HN 0.334 nan 8.270 nan 0.000 0.437 51 R N -0.220 120.231 120.500 -0.082 0.000 2.055 51 R HA -0.017 4.324 4.340 0.001 0.000 0.221 51 R C 2.033 178.260 176.300 -0.122 0.000 1.154 51 R CA 1.496 57.550 56.100 -0.077 0.000 0.975 51 R CB 0.070 30.352 30.300 -0.031 0.000 0.869 51 R HN 0.191 nan 8.270 nan 0.000 0.437 52 V N -3.111 116.728 119.914 -0.124 0.000 3.427 52 V HA 0.450 4.571 4.120 0.001 0.000 0.305 52 V C 0.743 176.733 176.094 -0.173 0.000 1.412 52 V CA 0.190 62.411 62.300 -0.131 0.000 1.086 52 V CB 0.295 32.061 31.823 -0.095 0.000 0.964 52 V HN 0.488 nan 8.190 nan 0.000 0.439 53 G N 1.453 110.080 108.800 -0.288 0.000 2.273 53 G HA2 -0.260 3.700 3.960 0.001 0.000 0.280 53 G HA3 -0.260 3.700 3.960 0.001 0.000 0.280 53 G C -0.090 174.768 174.900 -0.070 0.000 1.047 53 G CA 0.704 45.581 45.100 -0.372 0.000 0.869 53 G HN 0.646 nan 8.290 nan 0.000 0.502 54 I N 1.052 121.605 120.570 -0.028 0.000 2.440 54 I HA 0.511 4.682 4.170 0.001 0.000 0.294 54 I C 0.732 176.792 176.117 -0.095 0.000 0.995 54 I CA 0.043 61.253 61.300 -0.150 0.000 1.306 54 I CB 1.663 39.444 38.000 -0.365 0.000 1.407 54 I HN 0.274 nan 8.210 nan 0.000 0.501 55 T N 2.505 116.927 114.554 -0.219 0.000 2.906 55 T HA 0.577 4.927 4.350 0.001 0.000 0.302 55 T C -0.602 174.004 174.700 -0.157 0.000 1.002 55 T CA -0.623 61.380 62.100 -0.161 0.000 0.988 55 T CB 0.650 69.480 68.868 -0.064 0.000 0.972 55 T HN 0.095 nan 8.240 nan 0.000 0.447 69 I N 3.901 124.515 120.570 0.073 0.000 2.683 69 I HA 0.357 4.527 4.170 0.001 0.000 0.286 69 I C -1.610 174.347 176.117 -0.267 0.000 1.175 69 I CA -1.236 60.021 61.300 -0.072 0.000 1.429 69 I CB 1.117 39.047 38.000 -0.116 0.000 1.371 69 I HN 0.633 nan 8.210 nan 0.000 0.569 70 P HA 0.030 nan 4.420 nan 0.000 0.269 70 P C -0.928 176.059 177.300 -0.521 0.000 1.209 70 P CA 0.029 62.360 63.100 -1.281 0.000 0.776 70 P CB 0.374 31.590 31.700 -0.807 0.000 0.876 71 F N 1.926 121.580 119.950 -0.493 0.000 2.482 71 F HA 0.414 4.941 4.527 0.001 0.000 0.331 71 F C -0.442 175.403 175.800 0.075 0.000 1.115 71 F CA -0.971 57.023 58.000 -0.011 0.000 0.955 71 F CB 1.459 40.593 39.000 0.223 0.000 1.136 71 F HN 0.176 nan 8.300 nan 0.000 0.452 72 D N 3.688 123.674 120.400 -0.689 0.000 2.192 72 D HA 0.334 4.974 4.640 0.001 0.000 0.246 72 D C 0.585 176.393 176.300 -0.820 0.000 1.042 72 D CA -0.475 53.216 54.000 -0.515 0.000 0.847 72 D CB 1.774 42.381 40.800 -0.322 0.000 1.186 72 D HN 0.405 nan 8.370 nan 0.000 0.461 73 V N 1.318 121.055 119.914 -0.296 0.000 3.573 73 V HA 0.198 4.319 4.120 0.001 0.000 0.270 73 V C 0.255 176.293 176.094 -0.093 0.000 1.221 73 V CA 0.001 62.285 62.300 -0.027 0.000 1.163 73 V CB -0.396 31.687 31.823 0.433 0.000 0.847 73 V HN 0.305 nan 8.190 nan 0.000 0.468 74 V N 4.597 124.379 119.914 -0.219 0.000 2.389 74 V HA 0.346 4.466 4.120 0.001 0.000 0.264 74 V C -1.818 173.954 176.094 -0.537 0.000 1.049 74 V CA -1.601 60.474 62.300 -0.376 0.000 0.932 74 V CB 0.577 32.235 31.823 -0.276 0.000 1.011 74 V HN 0.380 nan 8.190 nan 0.000 0.475 75 P HA 0.198 nan 4.420 nan 0.000 0.274 75 P C -0.610 176.311 177.300 -0.633 0.000 1.237 75 P CA -0.724 61.819 63.100 -0.928 0.000 0.793 75 P CB 0.939 31.417 31.700 -2.037 0.000 0.977 76 R N 2.515 122.766 120.500 -0.416 0.000 2.235 76 R HA 0.362 4.702 4.340 0.001 0.000 0.338 76 R C -0.435 175.735 176.300 -0.216 0.000 1.087 76 R CA -0.154 55.841 56.100 -0.175 0.000 0.948 76 R CB -1.326 28.941 30.300 -0.055 0.000 1.099 76 R HN 0.375 nan 8.270 nan 0.000 0.483 77 I N 5.989 126.389 120.570 -0.283 0.000 2.353 77 I HA 0.284 4.455 4.170 0.001 0.000 0.293 77 I C -0.302 175.770 176.117 -0.075 0.000 0.992 77 I CA -0.676 60.434 61.300 -0.316 0.000 1.268 77 I CB 1.092 38.649 38.000 -0.737 0.000 1.387 77 I HN 0.392 nan 8.210 nan 0.000 0.478 78 L N 5.417 126.652 121.223 0.020 0.000 2.365 78 L HA 0.444 4.785 4.340 0.001 0.000 0.273 78 L C 0.378 177.313 176.870 0.110 0.000 1.000 78 L CA -0.630 54.283 54.840 0.120 0.000 0.819 78 L CB 2.114 44.290 42.059 0.194 0.000 1.284 78 L HN 0.697 nan 8.230 nan 0.000 0.418 79 S N 1.319 117.104 115.700 0.141 0.000 2.600 79 S HA 0.357 4.827 4.470 0.001 0.000 0.265 79 S C 1.212 175.905 174.600 0.155 0.000 1.325 79 S CA -0.017 58.261 58.200 0.129 0.000 1.002 79 S CB 1.554 64.830 63.200 0.127 0.000 0.921 79 S HN 0.727 nan 8.310 nan 0.000 0.554 80 A N 1.608 124.506 122.820 0.130 0.000 1.940 80 A HA -0.070 4.250 4.320 0.001 0.000 0.219 80 A C 2.465 180.149 177.584 0.166 0.000 1.176 80 A CA 2.064 54.192 52.037 0.150 0.000 0.631 80 A CB -1.593 17.470 19.000 0.105 0.000 0.814 80 A HN 1.298 nan 8.150 nan 0.000 0.446 81 S N -0.414 115.362 115.700 0.127 0.000 2.395 81 S HA -0.113 4.357 4.470 0.001 0.000 0.225 81 S C 1.678 176.337 174.600 0.098 0.000 1.027 81 S CA 1.114 59.374 58.200 0.099 0.000 0.965 81 S CB -0.436 62.810 63.200 0.078 0.000 0.812 81 S HN 0.645 nan 8.310 nan 0.000 0.482 82 E N 0.510 120.789 120.200 0.132 0.000 2.058 82 E HA -0.138 4.212 4.350 0.001 0.000 0.194 82 E C 1.785 178.435 176.600 0.083 0.000 0.997 82 E CA 1.334 57.810 56.400 0.126 0.000 0.801 82 E CB -0.278 29.544 29.700 0.203 0.000 0.746 82 E HN 0.742 nan 8.360 nan 0.000 0.450 83 W N 1.137 122.420 121.300 -0.028 0.000 2.388 83 W HA -0.112 4.548 4.660 0.001 0.000 0.294 83 W C 2.142 178.634 176.519 -0.045 0.000 1.212 83 W CA 1.436 58.752 57.345 -0.047 0.000 1.271 83 W CB -0.053 29.407 29.460 -0.000 0.000 1.126 83 W HN 0.076 nan 8.180 nan 0.000 0.535 84 A N 1.082 123.920 122.820 0.029 0.000 1.933 84 A HA -0.254 4.066 4.320 0.001 0.000 0.218 84 A C 1.916 179.405 177.584 -0.158 0.000 1.175 84 A CA 2.155 54.154 52.037 -0.064 0.000 0.628 84 A CB -0.860 18.157 19.000 0.028 0.000 0.814 84 A HN 0.343 nan 8.150 nan 0.000 0.444 85 R N -0.510 119.910 120.500 -0.135 0.000 2.062 85 R HA 0.057 4.397 4.340 0.001 0.000 0.229 85 R C 1.967 178.113 176.300 -0.257 0.000 1.128 85 R CA 1.489 57.501 56.100 -0.148 0.000 0.960 85 R CB -0.743 29.506 30.300 -0.084 0.000 0.855 85 R HN 0.408 nan 8.270 nan 0.000 0.432 86 L N 0.164 121.158 121.223 -0.382 0.000 2.012 86 L HA -0.213 4.128 4.340 0.001 0.000 0.210 86 L C 2.472 178.990 176.870 -0.586 0.000 1.073 86 L CA 2.159 56.670 54.840 -0.548 0.000 0.748 86 L CB -0.553 41.097 42.059 -0.681 0.000 0.891 86 L HN 0.411 nan 8.230 nan 0.000 0.431 87 S N -0.924 114.319 115.700 -0.762 0.000 2.368 87 S HA -0.217 4.254 4.470 0.001 0.000 0.225 87 S C 1.729 176.123 174.600 -0.342 0.000 1.030 87 S CA 1.606 59.391 58.200 -0.692 0.000 0.999 87 S CB -0.370 62.346 63.200 -0.807 0.000 0.844 87 S HN 0.486 nan 8.310 nan 0.000 0.459 88 D N 0.814 121.059 120.400 -0.259 0.000 2.117 88 D HA -0.017 4.624 4.640 0.001 0.000 0.197 88 D C 2.114 178.329 176.300 -0.141 0.000 0.987 88 D CA 1.311 55.218 54.000 -0.155 0.000 0.829 88 D CB -1.017 39.713 40.800 -0.117 0.000 0.961 88 D HN 0.551 nan 8.370 nan 0.000 0.460 89 G N 0.759 109.455 108.800 -0.172 0.000 2.418 89 G HA2 -0.171 3.790 3.960 0.001 0.000 0.217 89 G HA3 -0.171 3.790 3.960 0.001 0.000 0.217 89 G C 1.715 176.539 174.900 -0.126 0.000 1.158 89 G CA 1.223 46.238 45.100 -0.141 0.000 0.771 89 G HN 0.392 nan 8.290 nan 0.000 0.545 90 A N 0.579 123.297 122.820 -0.170 0.000 1.898 90 A HA 0.122 4.443 4.320 0.001 0.000 0.216 90 A C 2.394 179.931 177.584 -0.079 0.000 1.181 90 A CA 1.134 53.094 52.037 -0.128 0.000 0.620 90 A CB -0.314 18.580 19.000 -0.176 0.000 0.819 90 A HN 0.364 nan 8.150 nan 0.000 0.442 91 I N -0.558 119.959 120.570 -0.088 0.000 2.226 91 I HA -0.294 3.877 4.170 0.001 0.000 0.245 91 I C 2.802 178.901 176.117 -0.030 0.000 1.100 91 I CA 1.708 62.979 61.300 -0.048 0.000 1.374 91 I CB -0.287 37.682 38.000 -0.052 0.000 1.057 91 I HN 0.530 nan 8.210 nan 0.000 0.413 92 Q N 1.231 121.008 119.800 -0.039 0.000 2.061 92 Q HA -0.280 4.061 4.340 0.001 0.000 0.204 92 Q C 2.418 178.418 176.000 -0.001 0.000 0.984 92 Q CA 1.756 57.547 55.803 -0.019 0.000 0.846 92 Q CB -0.087 28.633 28.738 -0.029 0.000 0.902 92 Q HN 0.370 nan 8.270 nan 0.000 0.421 93 R N -0.433 120.060 120.500 -0.011 0.000 2.073 93 R HA -0.116 4.225 4.340 0.001 0.000 0.234 93 R C 2.207 178.521 176.300 0.023 0.000 1.134 93 R CA 1.527 57.629 56.100 0.003 0.000 0.952 93 R CB -0.114 30.180 30.300 -0.010 0.000 0.850 93 R HN 0.203 nan 8.270 nan 0.000 0.433 94 V N 1.308 121.233 119.914 0.019 0.000 2.427 94 V HA -0.202 3.918 4.120 0.001 0.000 0.248 94 V C 2.128 178.243 176.094 0.035 0.000 1.051 94 V CA 1.738 64.059 62.300 0.035 0.000 1.048 94 V CB -0.363 31.480 31.823 0.034 0.000 0.666 94 V HN 0.354 nan 8.190 nan 0.000 0.456 95 K N 0.385 120.798 120.400 0.022 0.000 2.057 95 K HA -0.126 4.194 4.320 0.001 0.000 0.207 95 K C 2.308 178.922 176.600 0.024 0.000 1.049 95 K CA 1.527 57.824 56.287 0.017 0.000 0.931 95 K CB -0.408 32.099 32.500 0.011 0.000 0.714 95 K HN 0.471 nan 8.250 nan 0.000 0.440 96 A N 1.167 124.021 122.820 0.057 0.000 1.930 96 A HA -0.107 4.213 4.320 0.001 0.000 0.217 96 A C 2.091 179.728 177.584 0.088 0.000 1.175 96 A CA 1.151 53.255 52.037 0.112 0.000 0.627 96 A CB -0.539 18.564 19.000 0.172 0.000 0.815 96 A HN 0.153 nan 8.150 nan 0.000 0.443 97 L N -0.222 121.054 121.223 0.089 0.000 2.046 97 L HA -0.122 4.218 4.340 0.001 0.000 0.208 97 L C 1.182 178.127 176.870 0.124 0.000 1.077 97 L CA 0.436 55.354 54.840 0.131 0.000 0.747 97 L CB -0.551 41.574 42.059 0.110 0.000 0.896 97 L HN 0.369 nan 8.230 nan 0.000 0.432 101 L N 0.832 121.794 121.223 -0.435 0.000 2.046 101 L HA -0.150 4.191 4.340 0.001 0.000 0.208 101 L C 2.384 178.810 176.870 -0.741 0.000 1.077 101 L CA 2.220 56.635 54.840 -0.709 0.000 0.747 101 L CB -0.789 40.859 42.059 -0.686 0.000 0.896 101 L HN 0.446 nan 8.230 nan 0.000 0.432 102 H N -0.326 118.461 119.070 -0.472 0.000 2.353 102 H HA -0.217 4.339 4.556 0.001 0.000 0.300 102 H C 1.955 177.324 175.328 0.070 0.000 1.090 102 H CA 2.078 58.134 56.048 0.014 0.000 1.327 102 H CB 0.048 29.861 29.762 0.085 0.000 1.383 102 H HN 0.249 nan 8.280 nan 0.000 0.508 103 D N -0.392 119.957 120.400 -0.085 0.000 2.097 103 D HA -0.150 4.490 4.640 0.001 0.000 0.195 103 D C 2.381 178.596 176.300 -0.143 0.000 0.989 103 D CA 1.965 55.957 54.000 -0.014 0.000 0.827 103 D CB -0.323 40.596 40.800 0.198 0.000 0.966 103 D HN 0.357 nan 8.370 nan 0.000 0.456 104 V N -1.193 118.455 119.914 -0.443 0.000 2.469 104 V HA -0.195 3.925 4.120 0.001 0.000 0.251 104 V C 1.561 177.520 176.094 -0.226 0.000 1.064 104 V CA 1.337 63.367 62.300 -0.450 0.000 1.066 104 V CB -1.321 30.041 31.823 -0.768 0.000 0.667 104 V HN 0.159 nan 8.190 nan 0.000 0.461 105 Y N -0.252 119.983 120.300 -0.107 0.000 2.468 105 Y HA 0.420 4.970 4.550 0.001 0.000 0.268 105 Y C 1.539 176.961 175.900 -0.798 0.000 1.177 105 Y CA -0.284 57.684 58.100 -0.219 0.000 1.265 105 Y CB -0.370 37.933 38.460 -0.262 0.000 1.103 105 Y HN 0.463 nan 8.280 nan 0.000 0.522 106 H N -1.969 116.945 119.070 -0.259 0.000 5.278 106 H HA 0.188 4.745 4.556 0.001 0.000 0.119 106 H C 0.838 176.081 175.328 -0.142 0.000 1.321 106 H CA -0.008 55.816 56.048 -0.373 0.000 0.304 106 H CB -0.111 29.382 29.762 -0.448 0.000 1.670 106 H HN -0.248 nan 8.280 nan 0.000 0.192 107 D N 0.818 121.282 120.400 0.107 0.000 2.347 107 D HA -0.043 4.598 4.640 0.001 0.000 0.213 107 D C -0.098 176.282 176.300 0.132 0.000 0.985 107 D CA 0.496 54.572 54.000 0.127 0.000 0.879 107 D CB 0.058 40.933 40.800 0.125 0.000 0.919 107 D HN 0.367 nan 8.370 nan 0.000 0.526 108 Q N 0.178 120.047 119.800 0.115 0.000 2.453 108 Q HA -0.217 4.123 4.340 0.001 0.000 0.294 108 Q C 0.578 176.620 176.000 0.070 0.000 1.295 108 Q CA 0.273 56.118 55.803 0.069 0.000 0.853 108 Q CB -0.730 28.039 28.738 0.051 0.000 1.193 108 Q HN 0.272 nan 8.270 nan 0.000 0.461 109 E N 0.429 120.719 120.200 0.150 0.000 2.118 109 E HA -0.166 4.184 4.350 0.001 0.000 0.195 109 E C 1.603 178.216 176.600 0.022 0.000 0.992 109 E CA 1.223 57.738 56.400 0.192 0.000 0.804 109 E CB -0.072 29.852 29.700 0.373 0.000 0.741 109 E HN 0.670 nan 8.360 nan 0.000 0.458 110 I N 0.515 120.977 120.570 -0.181 0.000 2.493 110 I HA -0.207 3.964 4.170 0.001 0.000 0.254 110 I C 2.027 177.907 176.117 -0.394 0.000 1.160 110 I CA 0.667 61.532 61.300 -0.724 0.000 1.445 110 I CB 0.104 37.750 38.000 -0.589 0.000 1.086 110 I HN 0.014 nan 8.210 nan 0.000 0.433 111 I N 0.334 120.790 120.570 -0.189 0.000 2.333 111 I HA -0.224 3.946 4.170 0.001 0.000 0.246 111 I C 2.260 178.303 176.117 -0.123 0.000 1.106 111 I CA 1.009 62.215 61.300 -0.155 0.000 1.411 111 I CB -0.347 37.583 38.000 -0.118 0.000 1.082 111 I HN 0.040 nan 8.210 nan 0.000 0.420 112 K N 1.227 121.581 120.400 -0.076 0.000 2.147 112 K HA -0.086 4.234 4.320 0.001 0.000 0.205 112 K C 1.961 178.535 176.600 -0.043 0.000 1.049 112 K CA 1.403 57.667 56.287 -0.037 0.000 0.936 112 K CB -0.212 32.294 32.500 0.010 0.000 0.722 112 K HN 0.290 nan 8.250 nan 0.000 0.446 113 A N 0.412 123.184 122.820 -0.081 0.000 2.235 113 A HA 0.165 4.485 4.320 0.001 0.000 0.208 113 A C 1.548 179.069 177.584 -0.105 0.000 1.172 113 A CA 0.840 52.837 52.037 -0.066 0.000 0.786 113 A CB -0.472 18.494 19.000 -0.056 0.000 0.804 113 A HN 0.421 nan 8.150 nan 0.000 0.479 114 G N -0.800 107.921 108.800 -0.131 0.000 2.184 114 G HA2 -0.336 3.624 3.960 0.001 0.000 0.264 114 G HA3 -0.336 3.624 3.960 0.001 0.000 0.264 114 G C 0.852 175.659 174.900 -0.155 0.000 0.975 114 G CA 0.697 45.724 45.100 -0.120 0.000 0.642 114 G HN 0.466 nan 8.290 nan 0.000 0.536 115 I N -0.148 120.284 120.570 -0.230 0.000 2.233 115 I HA 0.042 4.212 4.170 0.001 0.000 0.243 115 I C 1.187 177.123 176.117 -0.302 0.000 1.093 115 I CA 1.120 62.275 61.300 -0.243 0.000 1.380 115 I CB -0.016 37.785 38.000 -0.332 0.000 1.067 115 I HN 0.090 nan 8.210 nan 0.000 0.413 116 V N 2.292 121.976 119.914 -0.384 0.000 2.370 116 V HA 0.297 4.418 4.120 0.001 0.000 0.283 116 V C -2.204 173.653 176.094 -0.396 0.000 1.023 116 V CA -1.745 60.216 62.300 -0.566 0.000 0.857 116 V CB 1.038 32.592 31.823 -0.448 0.000 0.985 116 V HN -0.012 nan 8.190 nan 0.000 0.443 117 P HA 0.063 nan 4.420 nan 0.000 0.270 117 P C 0.891 178.083 177.300 -0.179 0.000 1.223 117 P CA -0.036 62.938 63.100 -0.210 0.000 0.785 117 P CB 0.528 32.147 31.700 -0.134 0.000 0.923 118 S N -0.315 115.306 115.700 -0.133 0.000 2.515 118 S HA -0.112 4.358 4.470 0.001 0.000 0.231 118 S C 1.605 176.131 174.600 -0.123 0.000 0.987 118 S CA 1.058 59.178 58.200 -0.133 0.000 0.936 118 S CB -1.333 61.800 63.200 -0.112 0.000 0.766 118 S HN 0.488 nan 8.310 nan 0.000 0.528 119 S N 1.612 117.259 115.700 -0.089 0.000 2.469 119 S HA 0.005 4.475 4.470 0.001 0.000 0.238 119 S C 1.596 176.164 174.600 -0.053 0.000 0.998 119 S CA 0.720 58.886 58.200 -0.056 0.000 0.957 119 S CB -0.898 62.291 63.200 -0.017 0.000 0.764 119 S HN 0.584 nan 8.310 nan 0.000 0.514 120 I N 1.272 121.797 120.570 -0.075 0.000 2.423 120 I HA -0.122 4.048 4.170 0.001 0.000 0.254 120 I C 1.758 177.805 176.117 -0.118 0.000 1.151 120 I CA 1.209 62.481 61.300 -0.046 0.000 1.421 120 I CB -0.098 37.883 38.000 -0.031 0.000 1.079 120 I HN 0.318 nan 8.210 nan 0.000 0.431 121 L N 0.203 121.283 121.223 -0.238 0.000 2.551 121 L HA -0.020 4.321 4.340 0.001 0.000 0.228 121 L C 2.350 179.115 176.870 -0.175 0.000 1.153 121 L CA 0.604 55.200 54.840 -0.407 0.000 0.851 121 L CB -0.689 41.098 42.059 -0.454 0.000 0.959 121 L HN 0.263 nan 8.230 nan 0.000 0.451 122 A N -0.871 121.906 122.820 -0.072 0.000 2.178 122 A HA -0.025 4.295 4.320 0.001 0.000 0.211 122 A C 1.064 178.674 177.584 0.045 0.000 1.157 122 A CA -0.014 52.019 52.037 -0.006 0.000 0.780 122 A CB -0.290 18.709 19.000 -0.003 0.000 0.828 122 A HN 0.323 nan 8.150 nan 0.000 0.476 123 N N 0.794 119.534 118.700 0.066 0.000 2.483 123 N HA 0.204 4.944 4.740 0.001 0.000 0.264 123 N C 1.139 176.742 175.510 0.156 0.000 1.197 123 N CA 0.651 53.770 53.050 0.115 0.000 0.927 123 N CB 1.151 39.723 38.487 0.142 0.000 1.065 123 N HN 0.197 nan 8.380 nan 0.000 0.461 124 A N 3.936 126.831 122.820 0.124 0.000 2.070 124 A HA -0.127 4.193 4.320 0.001 0.000 0.220 124 A C 1.737 179.398 177.584 0.129 0.000 1.159 124 A CA 1.060 53.167 52.037 0.117 0.000 0.656 124 A CB -0.055 18.994 19.000 0.082 0.000 0.800 124 A HN 0.702 nan 8.150 nan 0.000 0.453 125 Q N -1.736 118.151 119.800 0.146 0.000 2.378 125 Q HA -0.000 4.340 4.340 0.001 0.000 0.205 125 Q C -0.070 176.054 176.000 0.207 0.000 0.954 125 Q CA 0.214 56.105 55.803 0.147 0.000 0.901 125 Q CB -0.299 28.526 28.738 0.146 0.000 0.981 125 Q HN 0.771 nan 8.270 nan 0.000 0.483 126 Y N 2.535 122.920 120.300 0.141 0.000 2.480 126 Y HA 0.067 4.618 4.550 0.000 0.000 0.341 126 Y C -0.216 175.831 175.900 0.244 0.000 1.031 126 Y CA -0.285 57.930 58.100 0.192 0.000 1.295 126 Y CB 0.430 38.944 38.460 0.091 0.000 1.162 126 Y HN -0.205 nan 8.280 nan 0.000 0.523 127 R N 8.838 129.235 120.500 -0.173 0.000 2.215 127 R HA 0.191 4.531 4.340 0.001 0.000 0.337 127 R C -2.049 174.116 176.300 -0.225 0.000 1.010 127 R CA -1.868 54.170 56.100 -0.104 0.000 0.871 127 R CB 0.909 31.184 30.300 -0.041 0.000 1.134 127 R HN 0.589 nan 8.270 nan 0.000 0.477 128 P HA -0.129 nan 4.420 nan 0.000 0.225 128 P C -0.205 177.128 177.300 0.055 0.000 1.148 128 P CA 0.904 64.047 63.100 0.073 0.000 0.779 128 P CB 0.543 32.335 31.700 0.152 0.000 0.780 132 G N 2.772 110.981 108.800 -0.985 0.000 2.179 132 G HA2 -0.202 3.758 3.960 0.001 0.000 0.260 132 G HA3 -0.202 3.758 3.960 0.001 0.000 0.260 132 G C -0.452 174.223 174.900 -0.375 0.000 0.977 132 G CA 0.021 44.693 45.100 -0.714 0.000 0.641 132 G HN 1.070 nan 8.290 nan 0.000 0.533 133 V N 2.070 121.776 119.914 -0.347 0.000 2.455 133 V HA 0.370 4.490 4.120 0.001 0.000 0.273 133 V C -0.048 176.030 176.094 -0.026 0.000 1.045 133 V CA -0.619 61.563 62.300 -0.197 0.000 0.976 133 V CB 1.372 33.029 31.823 -0.276 0.000 0.993 133 V HN 0.249 nan 8.190 nan 0.000 0.475 134 D N 3.748 124.164 120.400 0.027 0.000 2.277 134 D HA 0.377 5.017 4.640 0.001 0.000 0.249 134 D C 0.021 176.273 176.300 -0.079 0.000 1.134 134 D CA 0.043 54.087 54.000 0.073 0.000 0.863 134 D CB 1.803 42.629 40.800 0.044 0.000 1.143 134 D HN 0.479 nan 8.370 nan 0.000 0.458 135 V N 0.424 120.281 119.914 -0.096 0.000 2.547 135 V HA 0.610 4.730 4.120 0.001 0.000 0.299 135 V C -2.596 173.446 176.094 -0.088 0.000 1.040 135 V CA -2.426 59.770 62.300 -0.173 0.000 0.913 135 V CB 1.464 33.064 31.823 -0.371 0.000 0.992 135 V HN 0.225 nan 8.190 nan 0.000 0.449 136 P HA 0.243 nan 4.420 nan 0.000 0.260 136 P C 1.044 178.330 177.300 -0.023 0.000 1.185 136 P CA 1.756 64.849 63.100 -0.013 0.000 0.763 136 P CB 0.495 32.208 31.700 0.021 0.000 0.776 137 G N 3.414 112.189 108.800 -0.041 0.000 2.175 137 G HA2 -0.207 3.754 3.960 0.001 0.000 0.265 137 G HA3 -0.207 3.754 3.960 0.001 0.000 0.265 137 G C 0.917 175.772 174.900 -0.075 0.000 0.979 137 G CA 0.542 45.610 45.100 -0.054 0.000 0.663 137 G HN 1.061 nan 8.290 nan 0.000 0.533 138 G N -2.338 106.415 108.800 -0.078 0.000 2.179 138 G HA2 -0.017 3.943 3.960 0.001 0.000 0.257 138 G HA3 -0.017 3.943 3.960 0.001 0.000 0.257 138 G C 0.339 175.241 174.900 0.002 0.000 1.010 138 G CA 0.681 45.759 45.100 -0.037 0.000 0.736 138 G HN 1.665 nan 8.290 nan 0.000 0.513 139 V N 0.103 119.944 119.914 -0.122 0.000 2.406 139 V HA 0.501 4.621 4.120 0.001 0.000 0.272 139 V C 1.001 176.901 176.094 -0.323 0.000 1.043 139 V CA -0.233 61.943 62.300 -0.208 0.000 0.915 139 V CB 1.027 32.633 31.823 -0.361 0.000 0.988 139 V HN 0.289 nan 8.190 nan 0.000 0.466 140 Y N 2.901 123.124 120.300 -0.128 0.000 2.506 140 Y HA 0.453 5.004 4.550 0.001 0.000 0.287 140 Y C 1.605 177.519 175.900 0.024 0.000 1.147 140 Y CA 0.507 58.626 58.100 0.032 0.000 1.241 140 Y CB 0.220 38.756 38.460 0.126 0.000 1.279 140 Y HN 0.580 nan 8.280 nan 0.000 0.527 141 A N -0.033 122.866 122.820 0.132 0.000 2.736 141 A HA 0.325 4.646 4.320 0.001 0.000 0.335 141 A C -0.232 177.363 177.584 0.018 0.000 1.446 141 A CA -0.342 51.778 52.037 0.137 0.000 1.028 141 A CB -0.728 18.366 19.000 0.156 0.000 1.154 141 A HN 0.489 nan 8.150 nan 0.000 0.507 142 H N 1.635 120.761 119.070 0.093 0.000 2.423 142 H HA 0.081 4.637 4.556 0.001 0.000 0.297 142 H C 0.164 175.517 175.328 0.041 0.000 1.075 142 H CA 1.633 57.701 56.048 0.034 0.000 1.342 142 H CB -0.041 29.710 29.762 -0.019 0.000 1.395 142 H HN 0.584 nan 8.280 nan 0.000 0.530 143 I N 0.289 120.983 120.570 0.207 0.000 2.466 143 I HA 0.551 4.721 4.170 0.001 0.000 0.289 143 I C -0.729 175.526 176.117 0.229 0.000 1.026 143 I CA -1.055 60.376 61.300 0.219 0.000 1.078 143 I CB 2.190 40.341 38.000 0.251 0.000 1.249 143 I HN -0.001 nan 8.210 nan 0.000 0.429 144 A N 4.329 127.279 122.820 0.217 0.000 2.353 144 A HA 0.796 5.116 4.320 0.001 0.000 0.299 144 A C -0.146 177.519 177.584 0.134 0.000 1.089 144 A CA -0.566 51.571 52.037 0.167 0.000 0.736 144 A CB 1.318 20.389 19.000 0.118 0.000 1.195 144 A HN 0.829 nan 8.150 nan 0.000 0.447 145 G N 0.655 109.507 108.800 0.087 0.000 2.338 145 G HA2 0.529 4.489 3.960 0.001 0.000 0.298 145 G HA3 0.529 4.489 3.960 0.001 0.000 0.298 145 G C -0.753 174.101 174.900 -0.076 0.000 1.140 145 G CA -0.294 44.739 45.100 -0.110 0.000 0.860 145 G HN 0.879 nan 8.290 nan 0.000 0.470 146 V N 3.409 123.247 119.914 -0.128 0.000 2.376 146 V HA 0.223 4.344 4.120 0.001 0.000 0.287 146 V C -0.820 175.244 176.094 -0.049 0.000 1.015 146 V CA -1.105 61.166 62.300 -0.048 0.000 0.834 146 V CB 1.520 33.321 31.823 -0.036 0.000 1.001 146 V HN 0.660 nan 8.190 nan 0.000 0.428 147 D N 5.732 126.128 120.400 -0.007 0.000 2.325 147 D HA 0.472 5.112 4.640 0.001 0.000 0.251 147 D C -0.336 176.002 176.300 0.063 0.000 1.196 147 D CA 0.227 54.234 54.000 0.013 0.000 0.866 147 D CB 1.833 42.639 40.800 0.010 0.000 1.101 147 D HN 0.332 nan 8.370 nan 0.000 0.476 148 L N 1.744 123.021 121.223 0.089 0.000 2.342 148 L HA 0.588 4.929 4.340 0.001 0.000 0.271 148 L C 0.032 177.028 176.870 0.210 0.000 1.008 148 L CA -1.167 53.774 54.840 0.168 0.000 0.818 148 L CB 2.054 44.217 42.059 0.174 0.000 1.296 148 L HN 0.126 nan 8.230 nan 0.000 0.427 149 V N -0.172 119.894 119.914 0.253 0.000 2.962 149 V HA 0.666 4.787 4.120 0.001 0.000 0.313 149 V C -0.779 175.403 176.094 0.146 0.000 1.099 149 V CA -0.882 61.534 62.300 0.193 0.000 0.971 149 V CB 1.976 33.871 31.823 0.120 0.000 1.028 149 V HN 0.832 nan 8.190 nan 0.000 0.430 150 R N 1.155 121.638 120.500 -0.028 0.000 2.514 150 R HA 0.674 5.014 4.340 0.001 0.000 0.301 150 R C 0.649 176.845 176.300 -0.174 0.000 0.962 150 R CA 0.336 56.192 56.100 -0.407 0.000 0.882 150 R CB 2.201 32.168 30.300 -0.554 0.000 1.143 150 R HN 1.080 nan 8.270 nan 0.000 0.452 151 T N -0.790 113.629 114.554 -0.225 0.000 2.954 151 T HA 0.348 4.698 4.350 0.001 0.000 0.252 151 T C 0.662 175.224 174.700 -0.229 0.000 0.983 151 T CA 0.155 62.208 62.100 -0.079 0.000 0.941 151 T CB 0.897 69.819 68.868 0.091 0.000 1.141 151 T HN 0.574 nan 8.240 nan 0.000 0.500 152 G N 0.486 108.948 108.800 -0.563 0.000 2.870 152 G HA2 0.487 4.447 3.960 0.001 0.000 0.299 152 G HA3 0.487 4.447 3.960 0.001 0.000 0.299 152 G C -0.007 174.121 174.900 -1.286 0.000 1.324 152 G CA -0.153 44.454 45.100 -0.822 0.000 0.808 152 G HN 0.006 nan 8.290 nan 0.000 0.535 153 E N -0.717 118.980 120.200 -0.838 0.000 2.077 153 E HA -0.053 4.297 4.350 0.001 0.000 0.193 153 E C 1.769 178.234 176.600 -0.225 0.000 0.989 153 E CA 2.307 58.448 56.400 -0.432 0.000 0.800 153 E CB -0.162 29.499 29.700 -0.064 0.000 0.746 153 E HN 0.635 nan 8.360 nan 0.000 0.452 154 N N 0.508 119.097 118.700 -0.184 0.000 2.416 154 N HA 0.142 4.883 4.740 0.001 0.000 0.267 154 N C -1.013 174.439 175.510 -0.097 0.000 1.294 154 N CA -0.004 53.013 53.050 -0.055 0.000 0.891 154 N CB 0.194 38.670 38.487 -0.017 0.000 1.238 154 N HN 0.028 nan 8.380 nan 0.000 0.508 155 D N 0.150 120.383 120.400 -0.277 0.000 2.471 155 D HA 0.457 5.097 4.640 0.001 0.000 0.245 155 D C -1.328 174.676 176.300 -0.493 0.000 1.116 155 D CA -0.043 53.768 54.000 -0.315 0.000 0.853 155 D CB 1.196 41.840 40.800 -0.260 0.000 1.123 155 D HN 0.282 nan 8.370 nan 0.000 0.540 156 F N 1.432 121.203 119.950 -0.299 0.000 2.556 156 F HA 0.386 4.913 4.527 0.001 0.000 0.314 156 F C -0.648 174.949 175.800 -0.339 0.000 1.106 156 F CA -0.790 57.092 58.000 -0.196 0.000 0.911 156 F CB 1.686 40.618 39.000 -0.113 0.000 1.190 156 F HN 0.182 nan 8.300 nan 0.000 0.448 157 Y N 1.635 122.029 120.300 0.158 0.000 2.409 157 Y HA 0.574 5.124 4.550 0.001 0.000 0.343 157 Y C -0.453 175.517 175.900 0.118 0.000 0.973 157 Y CA -1.287 56.874 58.100 0.102 0.000 1.064 157 Y CB 1.840 40.333 38.460 0.055 0.000 1.207 157 Y HN 0.177 nan 8.280 nan 0.000 0.452 158 V N 5.222 125.289 119.914 0.255 0.000 2.427 158 V HA 0.045 4.166 4.120 0.001 0.000 0.268 158 V C 0.991 177.244 176.094 0.264 0.000 1.046 158 V CA 0.085 62.512 62.300 0.212 0.000 0.970 158 V CB 0.592 32.515 31.823 0.166 0.000 1.001 158 V HN 0.900 nan 8.190 nan 0.000 0.476 159 L N 3.059 124.378 121.223 0.159 0.000 2.131 159 L HA 0.226 4.566 4.340 0.001 0.000 0.206 159 L C 1.033 177.840 176.870 -0.105 0.000 1.087 159 L CA 1.188 56.056 54.840 0.046 0.000 0.767 159 L CB 0.235 42.297 42.059 0.006 0.000 0.917 159 L HN 0.739 nan 8.230 nan 0.000 0.441 160 E N -1.160 119.038 120.200 -0.002 0.000 2.388 160 E HA 0.155 4.506 4.350 0.001 0.000 0.281 160 E C -1.712 174.933 176.600 0.074 0.000 1.046 160 E CA -0.662 55.705 56.400 -0.056 0.000 0.825 160 E CB 1.866 31.507 29.700 -0.098 0.000 1.243 160 E HN -0.069 nan 8.360 nan 0.000 0.438 161 D N 1.880 122.346 120.400 0.111 0.000 2.198 161 D HA 0.360 5.000 4.640 0.001 0.000 0.247 161 D C -0.855 175.497 176.300 0.087 0.000 1.010 161 D CA -0.530 53.535 54.000 0.108 0.000 0.880 161 D CB 1.204 42.089 40.800 0.142 0.000 1.209 161 D HN 0.269 nan 8.370 nan 0.000 0.451 162 N N 2.134 120.885 118.700 0.084 0.000 2.573 162 N HA 0.226 4.967 4.740 0.001 0.000 0.262 162 N C 0.180 175.769 175.510 0.132 0.000 1.029 162 N CA -0.142 52.969 53.050 0.101 0.000 0.882 162 N CB 1.933 40.476 38.487 0.092 0.000 1.204 162 N HN 0.260 nan 8.380 nan 0.000 0.519 163 L N 0.655 121.964 121.223 0.143 0.000 2.858 163 L HA 0.321 4.661 4.340 0.001 0.000 0.251 163 L C 1.773 178.746 176.870 0.172 0.000 1.149 163 L CA -0.085 54.854 54.840 0.165 0.000 0.955 163 L CB 0.419 42.579 42.059 0.168 0.000 1.289 163 L HN 0.153 nan 8.230 nan 0.000 0.542 164 R N 0.777 121.369 120.500 0.152 0.000 2.023 164 R HA 0.098 4.438 4.340 0.001 0.000 0.217 164 R C 0.759 177.140 176.300 0.134 0.000 1.255 164 R CA 1.541 57.722 56.100 0.135 0.000 0.981 164 R CB -0.166 30.199 30.300 0.109 0.000 0.853 164 R HN 0.213 nan 8.270 nan 0.000 0.463 165 T N -0.105 114.526 114.554 0.129 0.000 3.732 165 T HA 0.312 4.663 4.350 0.001 0.000 0.234 165 T C -2.626 172.177 174.700 0.171 0.000 1.146 165 T CA -1.600 60.575 62.100 0.124 0.000 1.454 165 T CB 0.772 69.669 68.868 0.050 0.000 0.910 165 T HN -0.024 nan 8.240 nan 0.000 0.640 166 P HA 0.214 nan 4.420 nan 0.000 0.263 166 P C -0.014 177.482 177.300 0.326 0.000 1.175 166 P CA 0.364 63.634 63.100 0.285 0.000 0.761 166 P CB 0.735 32.640 31.700 0.341 0.000 0.794 167 S N 0.333 116.237 115.700 0.340 0.000 2.667 167 S HA 0.796 5.267 4.470 0.001 0.000 0.292 167 S C 0.639 175.479 174.600 0.401 0.000 1.126 167 S CA -0.068 58.301 58.200 0.282 0.000 0.881 167 S CB 1.850 65.168 63.200 0.197 0.000 1.132 167 S HN 0.788 nan 8.310 nan 0.000 0.492 168 G N -0.591 108.372 108.800 0.271 0.000 2.296 168 G HA2 -0.244 3.716 3.960 0.001 0.000 0.188 168 G HA3 -0.244 3.716 3.960 0.001 0.000 0.188 168 G C 0.876 175.879 174.900 0.172 0.000 1.000 168 G CA 0.512 45.855 45.100 0.404 0.000 0.672 168 G HN 1.863 nan 8.290 nan 0.000 0.483 169 V N 0.979 120.689 119.914 -0.341 0.000 2.469 169 V HA -0.075 4.045 4.120 0.001 0.000 0.251 169 V C 2.839 178.814 176.094 -0.198 0.000 1.064 169 V CA 3.152 65.102 62.300 -0.585 0.000 1.066 169 V CB -0.852 30.288 31.823 -1.138 0.000 0.667 169 V HN 1.283 nan 8.190 nan 0.000 0.461 170 S N -0.627 115.002 115.700 -0.119 0.000 2.382 170 S HA -0.115 4.355 4.470 0.001 0.000 0.228 170 S C 1.117 175.573 174.600 -0.241 0.000 1.027 170 S CA 0.703 58.779 58.200 -0.206 0.000 0.991 170 S CB -0.946 62.020 63.200 -0.391 0.000 0.823 170 S HN 0.680 nan 8.310 nan 0.000 0.469 174 E N 1.150 121.326 120.200 -0.040 0.000 2.152 174 E HA -0.036 4.314 4.350 0.001 0.000 0.192 174 E C 1.357 177.907 176.600 -0.083 0.000 0.983 174 E CA 0.987 57.327 56.400 -0.101 0.000 0.818 174 E CB -0.082 29.488 29.700 -0.217 0.000 0.758 174 E HN 0.400 nan 8.360 nan 0.000 0.467 175 N N 0.935 119.629 118.700 -0.010 0.000 2.188 175 N HA -0.143 4.597 4.740 0.001 0.000 0.184 175 N C 1.814 177.399 175.510 0.124 0.000 1.018 175 N CA 0.817 53.862 53.050 -0.008 0.000 0.858 175 N CB -0.223 38.413 38.487 0.248 0.000 0.989 175 N HN 0.037 nan 8.380 nan 0.000 0.426 176 R N 1.834 122.427 120.500 0.155 0.000 2.066 176 R HA 0.054 4.395 4.340 0.001 0.000 0.232 176 R C 0.901 177.234 176.300 0.055 0.000 1.131 176 R CA 1.128 57.340 56.100 0.188 0.000 0.955 176 R CB -0.399 29.983 30.300 0.138 0.000 0.851 176 R HN 0.134 nan 8.270 nan 0.000 0.432 182 L N 0.464 121.539 121.223 -0.245 0.000 2.023 182 L HA 0.162 4.502 4.340 0.001 0.000 0.205 182 L C 0.224 176.796 176.870 -0.498 0.000 1.073 182 L CA 1.355 55.849 54.840 -0.576 0.000 0.745 182 L CB 0.049 41.387 42.059 -1.202 0.000 0.900 182 L HN 0.055 nan 8.230 nan 0.000 0.435 183 F N -0.927 119.193 119.950 0.282 0.000 2.523 183 F HA 0.330 4.857 4.527 0.001 0.000 0.322 183 F C -1.666 174.318 175.800 0.306 0.000 1.361 183 F CA -2.324 55.857 58.000 0.303 0.000 1.151 183 F CB -0.405 38.742 39.000 0.245 0.000 1.391 183 F HN -0.154 nan 8.300 nan 0.000 0.566 184 P HA -0.245 nan 4.420 nan 0.000 0.216 184 P C 1.469 178.935 177.300 0.278 0.000 1.150 184 P CA 1.711 64.959 63.100 0.248 0.000 0.837 184 P CB 0.259 32.030 31.700 0.118 0.000 0.786 185 E N 0.077 120.439 120.200 0.271 0.000 2.204 185 E HA -0.175 4.176 4.350 0.001 0.000 0.195 185 E C 1.936 178.620 176.600 0.141 0.000 0.990 185 E CA 0.901 57.436 56.400 0.226 0.000 0.821 185 E CB -1.234 28.644 29.700 0.296 0.000 0.750 185 E HN 0.158 nan 8.360 nan 0.000 0.477 186 L N 0.260 121.511 121.223 0.047 0.000 2.141 186 L HA 0.015 4.356 4.340 0.001 0.000 0.209 186 L C 2.094 178.854 176.870 -0.183 0.000 1.094 186 L CA 1.320 56.029 54.840 -0.218 0.000 0.763 186 L CB -0.831 40.966 42.059 -0.437 0.000 0.908 186 L HN -0.010 nan 8.230 nan 0.000 0.437 187 F N -1.068 118.822 119.950 -0.100 0.000 2.604 187 F HA -0.018 4.510 4.527 0.001 0.000 0.298 187 F C 2.569 178.303 175.800 -0.110 0.000 1.131 187 F CA 0.598 58.478 58.000 -0.200 0.000 1.457 187 F CB -0.342 38.542 39.000 -0.193 0.000 1.095 187 F HN 0.028 nan 8.300 nan 0.000 0.574 188 R N 0.450 121.001 120.500 0.086 0.000 2.127 188 R HA 0.010 4.351 4.340 0.001 0.000 0.217 188 R C 2.050 178.349 176.300 -0.001 0.000 1.074 188 R CA 0.695 56.823 56.100 0.047 0.000 0.991 188 R CB 0.061 30.398 30.300 0.063 0.000 0.895 188 R HN 0.202 nan 8.270 nan 0.000 0.450 189 R N -1.438 119.050 120.500 -0.020 0.000 2.193 189 R HA -0.008 4.332 4.340 0.001 0.000 0.213 189 R C -0.018 176.139 176.300 -0.239 0.000 1.055 189 R CA 0.760 56.798 56.100 -0.103 0.000 0.995 189 R CB 0.169 30.422 30.300 -0.080 0.000 0.893 189 R HN 0.078 nan 8.270 nan 0.000 0.459 190 Y N 0.669 120.872 120.300 -0.163 0.000 2.393 190 Y HA 0.278 4.829 4.550 0.001 0.000 0.341 190 Y C -1.988 173.790 175.900 -0.204 0.000 0.988 190 Y CA -3.073 54.911 58.100 -0.192 0.000 1.078 190 Y CB 1.711 39.994 38.460 -0.296 0.000 1.203 190 Y HN -0.124 nan 8.280 nan 0.000 0.453 191 P HA 0.099 nan 4.420 nan 0.000 0.231 191 P C -0.782 176.488 177.300 -0.049 0.000 1.811 191 P CA 0.040 63.130 63.100 -0.017 0.000 1.051 191 P CB -0.150 31.548 31.700 -0.003 0.000 1.951 192 V N 2.402 122.236 119.914 -0.133 0.000 2.470 192 V HA 0.300 4.421 4.120 0.001 0.000 0.276 192 V C 1.187 177.222 176.094 -0.097 0.000 1.040 192 V CA -0.656 61.522 62.300 -0.203 0.000 1.008 192 V CB 0.328 31.845 31.823 -0.510 0.000 0.990 192 V HN 0.466 nan 8.190 nan 0.000 0.477 193 A N 8.815 131.584 122.820 -0.086 0.000 2.477 193 A HA 0.563 4.884 4.320 0.001 0.000 0.246 193 A C -1.701 175.871 177.584 -0.020 0.000 1.078 193 A CA -0.966 51.039 52.037 -0.054 0.000 0.770 193 A CB -0.156 18.799 19.000 -0.074 0.000 1.011 193 A HN 0.717 nan 8.150 nan 0.000 0.494 194 P HA 0.292 nan 4.420 nan 0.000 0.276 194 P C 0.508 177.930 177.300 0.204 0.000 1.252 194 P CA 0.044 63.182 63.100 0.063 0.000 0.802 194 P CB 1.179 32.886 31.700 0.012 0.000 1.035 195 V N -2.047 117.984 119.914 0.194 0.000 3.497 195 V HA 0.084 4.204 4.120 0.001 0.000 0.272 195 V C 1.783 177.959 176.094 0.135 0.000 1.474 195 V CA 0.722 63.113 62.300 0.152 0.000 1.025 195 V CB -0.949 30.924 31.823 0.083 0.000 0.820 195 V HN 0.548 nan 8.190 nan 0.000 0.437 196 E N 2.340 122.655 120.200 0.193 0.000 2.463 196 E HA -0.258 4.093 4.350 0.001 0.000 0.201 196 E C 1.750 178.442 176.600 0.154 0.000 1.045 196 E CA 1.415 57.899 56.400 0.139 0.000 0.872 196 E CB -0.672 29.082 29.700 0.090 0.000 0.797 196 E HN 0.914 nan 8.360 nan 0.000 0.538 197 H N -0.870 118.231 119.070 0.052 0.000 2.539 197 H HA -0.036 4.520 4.556 0.001 0.000 0.267 197 H C 1.414 176.765 175.328 0.037 0.000 0.982 197 H CA 0.405 56.469 56.048 0.026 0.000 1.146 197 H CB -0.845 28.923 29.762 0.011 0.000 1.382 197 H HN 0.302 nan 8.280 nan 0.000 0.577 198 Y N 3.629 123.715 120.300 -0.357 0.000 2.069 198 Y HA -0.137 4.414 4.550 0.001 0.000 0.278 198 Y C -0.651 175.147 175.900 -0.170 0.000 1.175 198 Y CA 1.982 59.915 58.100 -0.279 0.000 1.134 198 Y CB -1.213 37.123 38.460 -0.207 0.000 0.965 198 Y HN 0.211 nan 8.280 nan 0.000 0.498 199 P HA -0.171 nan 4.420 nan 0.000 0.218 199 P C 1.362 178.555 177.300 -0.179 0.000 1.148 199 P CA 1.920 64.954 63.100 -0.109 0.000 0.822 199 P CB -0.052 31.602 31.700 -0.077 0.000 0.784 200 Q N -0.933 118.792 119.800 -0.125 0.000 2.187 200 Q HA -0.020 4.321 4.340 0.001 0.000 0.199 200 Q C 2.168 178.094 176.000 -0.123 0.000 0.957 200 Q CA 0.921 56.665 55.803 -0.098 0.000 0.857 200 Q CB -0.998 27.719 28.738 -0.036 0.000 0.929 200 Q HN 0.172 nan 8.270 nan 0.000 0.453 201 V N 1.299 121.113 119.914 -0.167 0.000 2.358 201 V HA -0.230 3.891 4.120 0.001 0.000 0.246 201 V C 2.317 178.253 176.094 -0.263 0.000 1.047 201 V CA 1.422 63.614 62.300 -0.180 0.000 1.035 201 V CB -0.645 31.062 31.823 -0.193 0.000 0.658 201 V HN 0.234 nan 8.190 nan 0.000 0.452 202 L N -0.039 120.927 121.223 -0.429 0.000 2.017 202 L HA -0.123 4.217 4.340 0.001 0.000 0.208 202 L C 2.206 178.902 176.870 -0.291 0.000 1.073 202 L CA 1.935 56.514 54.840 -0.435 0.000 0.745 202 L CB -0.764 40.927 42.059 -0.614 0.000 0.894 202 L HN 0.294 nan 8.230 nan 0.000 0.432 203 L N 0.177 121.261 121.223 -0.232 0.000 2.042 203 L HA -0.239 4.102 4.340 0.001 0.000 0.210 203 L C 2.267 179.060 176.870 -0.127 0.000 1.076 203 L CA 2.221 56.964 54.840 -0.162 0.000 0.749 203 L CB -1.188 40.799 42.059 -0.121 0.000 0.893 203 L HN 0.533 nan 8.230 nan 0.000 0.432 204 N N -0.314 118.317 118.700 -0.114 0.000 2.166 204 N HA -0.205 4.535 4.740 0.001 0.000 0.186 204 N C 1.654 177.119 175.510 -0.076 0.000 1.019 204 N CA 1.923 54.925 53.050 -0.080 0.000 0.856 204 N CB -0.258 38.191 38.487 -0.064 0.000 0.993 204 N HN 0.557 nan 8.380 nan 0.000 0.426 205 N N -0.603 118.039 118.700 -0.096 0.000 2.188 205 N HA -0.057 4.684 4.740 0.001 0.000 0.184 205 N C 1.445 176.919 175.510 -0.059 0.000 1.018 205 N CA 0.682 53.691 53.050 -0.069 0.000 0.858 205 N CB -0.010 38.429 38.487 -0.080 0.000 0.989 205 N HN 0.234 nan 8.380 nan 0.000 0.426 206 L N 0.784 121.939 121.223 -0.114 0.000 2.093 206 L HA -0.096 4.245 4.340 0.001 0.000 0.208 206 L C 2.343 179.159 176.870 -0.088 0.000 1.085 206 L CA 0.985 55.747 54.840 -0.129 0.000 0.755 206 L CB -0.257 41.693 42.059 -0.183 0.000 0.904 206 L HN 0.127 nan 8.230 nan 0.000 0.435 207 R N 0.004 120.459 120.500 -0.074 0.000 2.096 207 R HA -0.099 4.242 4.340 0.001 0.000 0.235 207 R C 2.343 178.620 176.300 -0.038 0.000 1.127 207 R CA 1.207 57.274 56.100 -0.054 0.000 0.968 207 R CB -0.406 29.866 30.300 -0.047 0.000 0.861 207 R HN 0.325 nan 8.270 nan 0.000 0.440 208 A N 0.901 123.703 122.820 -0.031 0.000 2.121 208 A HA -0.066 4.254 4.320 0.001 0.000 0.218 208 A C 1.903 179.484 177.584 -0.005 0.000 1.154 208 A CA 1.216 53.243 52.037 -0.016 0.000 0.679 208 A CB -0.100 18.892 19.000 -0.014 0.000 0.795 208 A HN 0.241 nan 8.150 nan 0.000 0.458 209 V N -3.666 116.249 119.914 0.002 0.000 3.342 209 V HA 0.640 4.761 4.120 0.001 0.000 0.322 209 V C 0.826 176.919 176.094 -0.003 0.000 1.370 209 V CA -0.452 61.865 62.300 0.028 0.000 1.170 209 V CB -1.318 30.580 31.823 0.126 0.000 1.101 209 V HN 0.502 nan 8.190 nan 0.000 0.442 210 A N 0.915 123.718 122.820 -0.028 0.000 2.425 210 A HA 0.408 4.728 4.320 0.001 0.000 0.242 210 A C 0.686 178.247 177.584 -0.039 0.000 1.077 210 A CA -0.116 51.895 52.037 -0.042 0.000 0.781 210 A CB 0.133 19.101 19.000 -0.055 0.000 1.020 210 A HN 0.573 nan 8.150 nan 0.000 0.494 211 Q N 0.145 119.920 119.800 -0.043 0.000 2.524 211 Q HA 0.286 4.627 4.340 0.001 0.000 0.246 211 Q C 0.585 176.545 176.000 -0.067 0.000 1.063 211 Q CA 0.518 56.294 55.803 -0.045 0.000 0.945 211 Q CB 0.351 29.063 28.738 -0.042 0.000 1.292 211 Q HN 0.855 nan 8.270 nan 0.000 0.518 212 A N 0.286 123.068 122.820 -0.062 0.000 2.524 212 A HA 0.392 4.712 4.320 0.001 0.000 0.250 212 A C 1.163 178.684 177.584 -0.104 0.000 1.078 212 A CA 0.890 52.885 52.037 -0.071 0.000 0.761 212 A CB -0.537 18.432 19.000 -0.051 0.000 1.012 212 A HN 0.910 nan 8.150 nan 0.000 0.500 213 G N 1.257 109.962 108.800 -0.158 0.000 2.349 213 G HA2 -0.188 3.772 3.960 0.001 0.000 0.213 213 G HA3 -0.188 3.772 3.960 0.001 0.000 0.213 213 G C 0.291 174.896 174.900 -0.492 0.000 1.044 213 G CA -0.114 44.829 45.100 -0.262 0.000 0.633 213 G HN 1.508 nan 8.290 nan 0.000 0.506 214 V N 3.667 123.395 119.914 -0.310 0.000 2.458 214 V HA 0.244 4.364 4.120 0.001 0.000 0.287 214 V C 1.642 177.568 176.094 -0.281 0.000 1.009 214 V CA 0.477 62.619 62.300 -0.263 0.000 1.091 214 V CB 0.711 32.452 31.823 -0.136 0.000 0.960 214 V HN 0.403 nan 8.190 nan 0.000 0.476 215 H N 2.909 121.966 119.070 -0.022 0.000 2.344 215 H HA 0.181 4.738 4.556 0.001 0.000 0.307 215 H C 0.600 175.914 175.328 -0.022 0.000 1.057 215 H CA 0.733 56.769 56.048 -0.020 0.000 1.373 215 H CB 0.573 30.325 29.762 -0.016 0.000 1.421 215 H HN 0.632 nan 8.280 nan 0.000 0.532 216 E N 2.399 122.653 120.200 0.091 0.000 2.546 216 E HA 0.208 4.558 4.350 0.001 0.000 0.227 216 E C -2.416 174.184 176.600 0.000 0.000 1.009 216 E CA -1.854 54.568 56.400 0.036 0.000 0.813 216 E CB 1.642 31.362 29.700 0.034 0.000 1.269 216 E HN 0.269 nan 8.360 nan 0.000 0.432 217 P HA 0.008 nan 4.420 nan 0.000 0.271 217 P C -0.347 176.928 177.300 -0.042 0.000 1.216 217 P CA -0.170 62.906 63.100 -0.041 0.000 0.771 217 P CB 0.920 32.590 31.700 -0.050 0.000 0.864 218 T N 2.333 116.856 114.554 -0.051 0.000 2.771 218 T HA 0.316 4.667 4.350 0.001 0.000 0.291 218 T C 0.131 174.796 174.700 -0.059 0.000 0.954 218 T CA -0.265 61.806 62.100 -0.050 0.000 1.045 218 T CB 0.430 69.267 68.868 -0.051 0.000 0.917 218 T HN 0.103 nan 8.240 nan 0.000 0.484 219 V N 4.873 124.757 119.914 -0.051 0.000 2.495 219 V HA 0.706 4.826 4.120 0.001 0.000 0.298 219 V C 0.144 176.216 176.094 -0.036 0.000 1.031 219 V CA -0.829 61.441 62.300 -0.051 0.000 0.871 219 V CB 1.483 33.273 31.823 -0.055 0.000 0.988 219 V HN 0.793 nan 8.190 nan 0.000 0.432 220 V N 2.971 122.865 119.914 -0.032 0.000 3.074 220 V HA 0.732 4.853 4.120 0.001 0.000 0.314 220 V C -0.917 175.172 176.094 -0.009 0.000 1.117 220 V CA -1.025 61.261 62.300 -0.023 0.000 1.014 220 V CB 2.222 34.024 31.823 -0.034 0.000 1.057 220 V HN 0.742 nan 8.190 nan 0.000 0.438 221 L N 3.045 124.253 121.223 -0.024 0.000 2.294 221 L HA 0.585 4.926 4.340 0.001 0.000 0.283 221 L C -0.739 176.060 176.870 -0.119 0.000 1.015 221 L CA -0.884 53.904 54.840 -0.087 0.000 0.831 221 L CB 1.289 43.287 42.059 -0.101 0.000 1.217 221 L HN 0.846 nan 8.230 nan 0.000 0.420 222 L N 5.250 126.382 121.223 -0.152 0.000 2.325 222 L HA 0.371 4.711 4.340 0.001 0.000 0.284 222 L C 0.045 176.824 176.870 -0.151 0.000 1.089 222 L CA 0.747 55.521 54.840 -0.111 0.000 0.836 222 L CB 1.170 43.176 42.059 -0.088 0.000 1.184 222 L HN 0.587 nan 8.230 nan 0.000 0.444 223 T N 5.915 120.441 114.554 -0.047 0.000 2.895 223 T HA 0.550 4.900 4.350 0.001 0.000 0.283 223 T C -1.846 172.907 174.700 0.087 0.000 1.014 223 T CA -1.830 60.296 62.100 0.043 0.000 1.037 223 T CB 1.600 70.641 68.868 0.288 0.000 1.006 223 T HN 0.562 nan 8.240 nan 0.000 0.468 224 P HA 0.228 nan 4.420 nan 0.000 0.221 224 P C 0.760 178.072 177.300 0.020 0.000 1.150 224 P CA 0.915 64.039 63.100 0.040 0.000 0.800 224 P CB -0.157 31.543 31.700 -0.000 0.000 0.787 225 G N -1.027 107.787 108.800 0.025 0.000 2.353 225 G HA2 0.085 4.045 3.960 0.001 0.000 0.615 225 G HA3 0.085 4.045 3.960 0.001 0.000 0.615 225 G C 0.777 175.214 174.900 -0.771 0.000 1.280 225 G CA -0.189 44.748 45.100 -0.273 0.000 1.000 225 G HN 0.141 nan 8.290 nan 0.000 0.516 226 A N -1.170 120.963 122.820 -1.146 0.000 1.978 226 A HA 0.047 4.368 4.320 0.001 0.000 0.220 226 A C 1.578 178.883 177.584 -0.465 0.000 1.170 226 A CA 2.316 53.725 52.037 -1.047 0.000 0.636 226 A CB -0.437 18.190 19.000 -0.623 0.000 0.810 226 A HN 1.107 nan 8.150 nan 0.000 0.448 227 Y N 0.898 121.054 120.300 -0.239 0.000 2.871 227 Y HA 0.173 4.723 4.550 0.001 0.000 0.378 227 Y C 0.550 176.404 175.900 -0.076 0.000 1.069 227 Y CA -0.049 57.983 58.100 -0.113 0.000 1.662 227 Y CB -0.331 38.078 38.460 -0.085 0.000 1.561 227 Y HN 0.342 nan 8.280 nan 0.000 0.483 228 N N -0.560 118.143 118.700 0.005 0.000 2.295 228 N HA 0.045 4.786 4.740 0.001 0.000 0.293 228 N C 0.780 176.323 175.510 0.055 0.000 1.040 228 N CA 0.340 53.413 53.050 0.039 0.000 0.840 228 N CB 1.741 40.258 38.487 0.050 0.000 1.468 228 N HN 0.228 nan 8.380 nan 0.000 0.478 229 S N 2.388 118.134 115.700 0.077 0.000 2.383 229 S HA -0.161 4.309 4.470 0.001 0.000 0.229 229 S C 1.450 176.168 174.600 0.197 0.000 1.030 229 S CA 1.242 59.520 58.200 0.130 0.000 1.002 229 S CB -0.162 63.115 63.200 0.128 0.000 0.829 229 S HN 0.597 nan 8.310 nan 0.000 0.467 230 A N -0.420 122.408 122.820 0.012 0.000 2.379 230 A HA 0.376 4.697 4.320 0.001 0.000 0.236 230 A C 1.400 178.501 177.584 -0.805 0.000 1.272 230 A CA -0.168 51.703 52.037 -0.277 0.000 0.886 230 A CB -0.815 18.100 19.000 -0.141 0.000 0.962 230 A HN 0.532 nan 8.150 nan 0.000 0.504 231 Y N 1.141 121.093 120.300 -0.581 0.000 2.114 231 Y HA -0.364 4.187 4.550 0.001 0.000 0.282 231 Y C 1.822 177.513 175.900 -0.347 0.000 1.165 231 Y CA 2.440 60.208 58.100 -0.553 0.000 1.148 231 Y CB -0.779 37.571 38.460 -0.184 0.000 0.972 231 Y HN 0.549 nan 8.280 nan 0.000 0.504 232 F N 0.285 120.073 119.950 -0.271 0.000 2.091 232 F HA -0.236 4.292 4.527 0.001 0.000 0.299 232 F C 2.245 177.919 175.800 -0.210 0.000 1.103 232 F CA 1.931 59.778 58.000 -0.256 0.000 1.228 232 F CB -1.265 37.630 39.000 -0.175 0.000 0.984 232 F HN 0.148 nan 8.300 nan 0.000 0.477 233 E N -0.081 119.324 120.200 -1.325 0.000 2.110 233 E HA -0.247 4.103 4.350 0.001 0.000 0.193 233 E C 2.058 178.534 176.600 -0.206 0.000 0.988 233 E CA 1.687 57.632 56.400 -0.758 0.000 0.804 233 E CB -0.378 28.823 29.700 -0.831 0.000 0.745 233 E HN 0.750 nan 8.360 nan 0.000 0.458 234 H N -0.626 118.232 119.070 -0.354 0.000 2.321 234 H HA -0.079 4.478 4.556 0.001 0.000 0.300 234 H C 2.149 177.319 175.328 -0.263 0.000 1.087 234 H CA 0.654 56.538 56.048 -0.275 0.000 1.319 234 H CB -0.029 29.588 29.762 -0.242 0.000 1.379 234 H HN 0.269 nan 8.280 nan 0.000 0.501 235 A N 1.272 123.928 122.820 -0.273 0.000 1.898 235 A HA -0.178 4.142 4.320 0.001 0.000 0.216 235 A C 2.173 179.710 177.584 -0.078 0.000 1.181 235 A CA 1.313 53.206 52.037 -0.240 0.000 0.620 235 A CB -0.841 17.923 19.000 -0.394 0.000 0.819 235 A HN 0.436 nan 8.150 nan 0.000 0.442 236 F N 1.035 120.882 119.950 -0.172 0.000 2.075 236 F HA -0.165 4.362 4.527 0.001 0.000 0.297 236 F C 1.953 177.709 175.800 -0.073 0.000 1.113 236 F CA 1.915 59.850 58.000 -0.108 0.000 1.218 236 F CB -0.352 38.585 39.000 -0.106 0.000 0.984 236 F HN 0.188 nan 8.300 nan 0.000 0.472 237 I N 0.566 121.032 120.570 -0.173 0.000 2.226 237 I HA -0.281 3.890 4.170 0.001 0.000 0.245 237 I C 2.722 178.748 176.117 -0.151 0.000 1.100 237 I CA 1.226 62.407 61.300 -0.198 0.000 1.374 237 I CB -1.213 36.819 38.000 0.053 0.000 1.057 237 I HN 0.263 nan 8.210 nan 0.000 0.413 238 A N 0.209 122.977 122.820 -0.087 0.000 1.902 238 A HA -0.252 4.069 4.320 0.001 0.000 0.217 238 A C 2.385 179.910 177.584 -0.100 0.000 1.181 238 A CA 1.618 53.617 52.037 -0.063 0.000 0.623 238 A CB -0.627 18.343 19.000 -0.049 0.000 0.818 238 A HN 0.461 nan 8.150 nan 0.000 0.443 239 Q N -0.352 119.367 119.800 -0.134 0.000 2.046 239 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 239 Q C 0.752 176.645 176.000 -0.178 0.000 0.975 239 Q CA 0.904 56.629 55.803 -0.130 0.000 0.836 239 Q CB -0.263 28.413 28.738 -0.104 0.000 0.896 239 Q HN 0.618 nan 8.270 nan 0.000 0.428 243 I N -3.401 117.145 120.570 -0.041 0.000 2.910 243 I HA 0.780 4.951 4.170 0.001 0.000 0.310 243 I C -0.472 175.632 176.117 -0.022 0.000 1.043 243 I CA -1.331 59.952 61.300 -0.028 0.000 1.053 243 I CB 1.770 39.756 38.000 -0.023 0.000 1.242 243 I HN -0.251 nan 8.210 nan 0.000 0.452 244 E N 2.873 123.065 120.200 -0.015 0.000 2.384 244 E HA 0.184 4.534 4.350 0.001 0.000 0.266 244 E C -0.893 175.703 176.600 -0.007 0.000 1.012 244 E CA -0.270 56.126 56.400 -0.007 0.000 0.901 244 E CB 1.629 31.328 29.700 -0.001 0.000 0.967 244 E HN 0.483 nan 8.360 nan 0.000 0.435 245 L N 4.692 125.916 121.223 0.002 0.000 2.255 245 L HA 0.180 4.520 4.340 0.001 0.000 0.289 245 L C -0.542 176.351 176.870 0.037 0.000 1.046 245 L CA -0.540 54.306 54.840 0.010 0.000 0.816 245 L CB 0.814 42.879 42.059 0.011 0.000 1.197 245 L HN 0.268 nan 8.230 nan 0.000 0.427 246 V N 1.466 121.396 119.914 0.027 0.000 2.919 246 V HA 0.717 4.837 4.120 0.001 0.000 0.316 246 V C -0.251 175.872 176.094 0.049 0.000 1.077 246 V CA -0.767 61.556 62.300 0.038 0.000 0.977 246 V CB 1.848 33.682 31.823 0.019 0.000 1.039 246 V HN 0.765 nan 8.190 nan 0.000 0.441 247 E N 1.533 121.767 120.200 0.057 0.000 2.249 247 E HA 0.540 4.891 4.350 0.001 0.000 0.263 247 E C 1.171 177.802 176.600 0.052 0.000 0.950 247 E CA -0.352 56.082 56.400 0.056 0.000 0.827 247 E CB 1.982 31.718 29.700 0.059 0.000 1.220 247 E HN 0.936 nan 8.360 nan 0.000 0.411 248 G N 1.060 109.893 108.800 0.054 0.000 2.513 248 G HA2 -0.348 3.612 3.960 0.001 0.000 0.219 248 G HA3 -0.348 3.612 3.960 0.001 0.000 0.219 248 G C 1.272 176.218 174.900 0.077 0.000 1.160 248 G CA 1.121 46.258 45.100 0.063 0.000 0.767 248 G HN 0.560 nan 8.290 nan 0.000 0.571 249 Q N 0.456 120.301 119.800 0.075 0.000 2.364 249 Q HA -0.077 4.264 4.340 0.001 0.000 0.209 249 Q C 1.088 177.150 176.000 0.104 0.000 0.977 249 Q CA 1.465 57.318 55.803 0.084 0.000 0.885 249 Q CB -0.298 28.478 28.738 0.065 0.000 0.941 249 Q HN 0.371 nan 8.270 nan 0.000 0.464 250 D N 0.729 121.186 120.400 0.095 0.000 2.347 250 D HA 0.177 4.817 4.640 0.001 0.000 0.215 250 D C 0.520 176.899 176.300 0.131 0.000 0.976 250 D CA 0.380 54.442 54.000 0.104 0.000 0.884 250 D CB 0.406 41.250 40.800 0.073 0.000 0.915 250 D HN 0.260 nan 8.370 nan 0.000 0.526 251 L N -0.068 121.230 121.223 0.125 0.000 2.319 251 L HA 0.546 4.887 4.340 0.001 0.000 0.267 251 L C -0.648 176.344 176.870 0.204 0.000 1.011 251 L CA -1.232 53.659 54.840 0.086 0.000 0.818 251 L CB 1.790 43.852 42.059 0.006 0.000 1.316 251 L HN -0.167 nan 8.230 nan 0.000 0.432 252 F N -0.882 119.121 119.950 0.088 0.000 2.668 252 F HA 0.772 5.299 4.527 0.000 0.000 0.309 252 F C -1.504 174.375 175.800 0.131 0.000 1.117 252 F CA -1.071 56.984 58.000 0.092 0.000 0.951 252 F CB 1.167 40.215 39.000 0.079 0.000 1.323 252 F HN 0.020 nan 8.300 nan 0.000 0.451 253 V N 2.454 122.526 119.914 0.263 0.000 2.547 253 V HA 0.838 4.958 4.120 0.001 0.000 0.299 253 V C -0.682 175.591 176.094 0.298 0.000 1.040 253 V CA -0.655 61.750 62.300 0.175 0.000 0.913 253 V CB 1.944 33.829 31.823 0.103 0.000 0.992 253 V HN 0.983 nan 8.190 nan 0.000 0.449 254 R N 3.600 124.270 120.500 0.282 0.000 2.604 254 R HA 0.372 4.713 4.340 0.001 0.000 0.261 254 R C -0.418 176.012 176.300 0.216 0.000 1.080 254 R CA -0.440 55.810 56.100 0.250 0.000 0.917 254 R CB 0.887 31.347 30.300 0.268 0.000 1.252 254 R HN 0.764 nan 8.270 nan 0.000 0.456 255 N N 2.080 120.860 118.700 0.133 0.000 2.705 255 N HA -0.306 4.435 4.740 0.001 0.000 0.255 255 N C -0.728 174.829 175.510 0.079 0.000 1.008 255 N CA 1.150 54.260 53.050 0.099 0.000 0.742 255 N CB -1.163 37.386 38.487 0.105 0.000 0.906 255 N HN 1.043 nan 8.380 nan 0.000 0.541 256 N N -1.420 117.312 118.700 0.052 0.000 2.740 256 N HA -0.205 4.535 4.740 0.001 0.000 0.248 256 N C -0.619 174.881 175.510 -0.017 0.000 1.062 256 N CA 1.397 54.457 53.050 0.017 0.000 0.704 256 N CB -1.183 37.308 38.487 0.007 0.000 0.968 256 N HN 1.051 nan 8.380 nan 0.000 0.547 257 A N -1.441 121.360 122.820 -0.031 0.000 2.606 257 A HA 0.742 5.062 4.320 0.001 0.000 0.293 257 A C -0.847 176.567 177.584 -0.283 0.000 1.082 257 A CA -0.388 51.530 52.037 -0.199 0.000 0.685 257 A CB 1.801 20.628 19.000 -0.288 0.000 1.284 257 A HN 0.228 nan 8.150 nan 0.000 0.408 258 V N 1.456 121.097 119.914 -0.455 0.000 2.459 258 V HA 0.599 4.719 4.120 0.001 0.000 0.295 258 V C -0.920 174.747 176.094 -0.712 0.000 1.029 258 V CA -0.253 61.801 62.300 -0.411 0.000 0.874 258 V CB 1.004 32.686 31.823 -0.236 0.000 0.985 258 V HN 0.833 nan 8.190 nan 0.000 0.438 262 T N -2.104 112.515 114.554 0.108 0.000 2.906 262 T HA 0.291 4.642 4.350 0.001 0.000 0.295 262 T C 0.891 175.625 174.700 0.058 0.000 1.061 262 T CA -0.659 61.483 62.100 0.070 0.000 1.000 262 T CB 2.004 70.908 68.868 0.059 0.000 1.103 262 T HN 0.329 nan 8.240 nan 0.000 0.486 263 T N 1.157 115.736 114.554 0.041 0.000 2.803 263 T HA -0.072 4.278 4.350 0.001 0.000 0.269 263 T C 1.515 176.232 174.700 0.028 0.000 1.052 263 T CA 1.308 63.426 62.100 0.031 0.000 1.136 263 T CB -0.204 68.678 68.868 0.024 0.000 0.864 263 T HN 0.669 nan 8.240 nan 0.000 0.467 264 E N 0.490 120.708 120.200 0.030 0.000 2.482 264 E HA 0.263 4.613 4.350 0.001 0.000 0.196 264 E C 1.188 177.807 176.600 0.031 0.000 1.047 264 E CA 0.248 56.664 56.400 0.027 0.000 0.869 264 E CB 0.142 29.857 29.700 0.025 0.000 0.836 264 E HN 0.585 nan 8.360 nan 0.000 0.520 265 G N 1.720 110.546 108.800 0.044 0.000 2.347 265 G HA2 -0.060 3.900 3.960 0.001 0.000 0.477 265 G HA3 -0.060 3.900 3.960 0.001 0.000 0.477 265 G C -3.020 171.933 174.900 0.087 0.000 1.349 265 G CA -1.055 44.076 45.100 0.052 0.000 1.000 265 G HN -0.163 nan 8.290 nan 0.000 0.605 266 P HA 0.288 nan 4.420 nan 0.000 0.271 266 P C -0.752 176.656 177.300 0.179 0.000 1.226 266 P CA 0.172 63.371 63.100 0.165 0.000 0.765 266 P CB 1.240 33.009 31.700 0.115 0.000 0.835 267 K N 3.823 124.326 120.400 0.173 0.000 2.240 267 K HA 0.229 4.549 4.320 0.001 0.000 0.271 267 K C 0.235 176.893 176.600 0.096 0.000 1.018 267 K CA -0.850 55.516 56.287 0.131 0.000 0.874 267 K CB 0.878 33.414 32.500 0.060 0.000 1.098 267 K HN 0.327 nan 8.250 nan 0.000 0.458 268 R N 2.962 123.493 120.500 0.051 0.000 2.522 268 R HA 0.068 4.409 4.340 0.001 0.000 0.284 268 R C -0.868 175.306 176.300 -0.210 0.000 1.032 268 R CA -0.102 55.840 56.100 -0.263 0.000 1.049 268 R CB 0.564 30.704 30.300 -0.267 0.000 0.956 268 R HN 0.335 nan 8.270 nan 0.000 0.422 269 V N 5.281 125.026 119.914 -0.281 0.000 2.394 269 V HA 0.089 4.210 4.120 0.001 0.000 0.282 269 V C 0.303 176.289 176.094 -0.181 0.000 1.031 269 V CA -0.278 61.910 62.300 -0.185 0.000 0.881 269 V CB 1.613 33.337 31.823 -0.166 0.000 0.982 269 V HN 0.883 nan 8.190 nan 0.000 0.451 270 D N 2.808 123.130 120.400 -0.130 0.000 2.323 270 D HA 0.111 4.752 4.640 0.001 0.000 0.218 270 D C 0.137 176.378 176.300 -0.099 0.000 0.973 270 D CA 1.001 54.932 54.000 -0.114 0.000 0.890 270 D CB 1.290 42.033 40.800 -0.095 0.000 1.011 270 D HN 0.359 nan 8.370 nan 0.000 0.499 271 V N 1.833 121.689 119.914 -0.098 0.000 2.638 271 V HA 0.384 4.504 4.120 0.001 0.000 0.306 271 V C -0.416 175.618 176.094 -0.100 0.000 1.052 271 V CA -0.696 61.541 62.300 -0.105 0.000 0.885 271 V CB 2.635 34.395 31.823 -0.105 0.000 0.999 271 V HN -0.083 nan 8.190 nan 0.000 0.424 272 I N 4.697 125.197 120.570 -0.118 0.000 2.355 272 I HA 0.326 4.496 4.170 0.001 0.000 0.288 272 I C -1.008 175.077 176.117 -0.055 0.000 0.999 272 I CA -0.778 60.467 61.300 -0.091 0.000 1.163 272 I CB 1.430 39.360 38.000 -0.116 0.000 1.316 272 I HN 0.641 nan 8.210 nan 0.000 0.454 273 Y N 8.114 128.315 120.300 -0.165 0.000 2.613 273 Y HA 0.327 4.877 4.550 0.001 0.000 0.354 273 Y C 0.308 176.117 175.900 -0.152 0.000 1.063 273 Y CA -1.582 56.419 58.100 -0.165 0.000 1.384 273 Y CB 0.048 38.425 38.460 -0.138 0.000 1.199 273 Y HN 0.531 nan 8.280 nan 0.000 0.517 274 R N 4.562 125.008 120.500 -0.090 0.000 2.298 274 R HA 0.475 4.815 4.340 0.001 0.000 0.310 274 R C -0.330 175.780 176.300 -0.316 0.000 1.068 274 R CA -0.477 55.501 56.100 -0.202 0.000 0.957 274 R CB 0.760 30.988 30.300 -0.121 0.000 1.003 274 R HN 0.369 nan 8.270 nan 0.000 0.454 275 R N 3.834 124.077 120.500 -0.428 0.000 2.696 275 R HA 0.371 4.712 4.340 0.001 0.000 0.355 275 R C -0.424 175.724 176.300 -0.253 0.000 1.138 275 R CA -0.154 55.657 56.100 -0.482 0.000 1.059 275 R CB -0.058 29.619 30.300 -1.038 0.000 1.380 275 R HN 0.695 nan 8.270 nan 0.000 0.578 276 I N 0.429 120.915 120.570 -0.140 0.000 2.569 276 I HA 0.220 4.391 4.170 0.001 0.000 0.296 276 I C 0.007 176.122 176.117 -0.003 0.000 1.028 276 I CA -0.974 60.294 61.300 -0.054 0.000 1.082 276 I CB 2.227 40.216 38.000 -0.018 0.000 1.264 276 I HN -0.172 nan 8.210 nan 0.000 0.429 277 D N 3.947 124.371 120.400 0.040 0.000 2.399 277 D HA -0.011 4.629 4.640 0.001 0.000 0.241 277 D C 0.594 176.942 176.300 0.080 0.000 1.133 277 D CA 0.051 54.102 54.000 0.084 0.000 0.890 277 D CB 1.025 41.917 40.800 0.154 0.000 1.201 277 D HN 0.444 nan 8.370 nan 0.000 0.432 278 D N 1.032 121.413 120.400 -0.032 0.000 2.154 278 D HA -0.195 4.445 4.640 0.001 0.000 0.190 278 D C 1.216 177.312 176.300 -0.341 0.000 1.003 278 D CA 1.207 55.077 54.000 -0.216 0.000 0.849 278 D CB -0.007 40.583 40.800 -0.350 0.000 0.942 278 D HN 0.420 nan 8.370 nan 0.000 0.446 279 D N -1.020 119.229 120.400 -0.252 0.000 2.228 279 D HA -0.154 4.486 4.640 0.001 0.000 0.203 279 D C 1.432 177.621 176.300 -0.186 0.000 0.988 279 D CA 0.701 54.543 54.000 -0.262 0.000 0.864 279 D CB -0.185 40.507 40.800 -0.180 0.000 0.928 279 D HN 0.301 nan 8.370 nan 0.000 0.469 280 F N -0.422 119.528 119.950 -0.000 0.000 2.678 280 F HA 0.190 4.717 4.527 0.001 0.000 0.305 280 F C 1.935 177.781 175.800 0.076 0.000 1.090 280 F CA -0.330 57.701 58.000 0.051 0.000 1.272 280 F CB -0.099 38.918 39.000 0.029 0.000 1.060 280 F HN -0.082 nan 8.300 nan 0.000 0.576 281 I N -2.573 118.137 120.570 0.233 0.000 2.617 281 I HA 0.076 4.246 4.170 0.001 0.000 0.256 281 I C -0.101 176.125 176.117 0.182 0.000 1.167 281 I CA 1.037 62.447 61.300 0.184 0.000 1.469 281 I CB 0.108 38.188 38.000 0.132 0.000 1.098 281 I HN -0.131 nan 8.210 nan 0.000 0.436 282 D N 1.026 121.565 120.400 0.233 0.000 2.365 282 D HA 0.256 4.896 4.640 0.001 0.000 0.235 282 D C -2.195 174.151 176.300 0.078 0.000 1.368 282 D CA -2.035 52.042 54.000 0.129 0.000 1.001 282 D CB 1.815 42.661 40.800 0.076 0.000 1.364 282 D HN -0.135 nan 8.370 nan 0.000 0.577 283 P HA -0.012 nan 4.420 nan 0.000 0.230 283 P C 1.328 178.618 177.300 -0.016 0.000 1.158 283 P CA 0.401 63.515 63.100 0.023 0.000 0.769 283 P CB 0.448 32.167 31.700 0.031 0.000 0.807 284 L N -1.680 119.520 121.223 -0.038 0.000 2.558 284 L HA 0.109 4.449 4.340 0.001 0.000 0.225 284 L C 1.747 178.535 176.870 -0.137 0.000 1.128 284 L CA 0.721 55.522 54.840 -0.065 0.000 0.868 284 L CB -0.289 41.742 42.059 -0.047 0.000 1.006 284 L HN -0.043 nan 8.230 nan 0.000 0.454 285 S N -1.764 113.793 115.700 -0.238 0.000 2.727 285 S HA 0.293 4.763 4.470 0.001 0.000 0.249 285 S C 0.438 174.678 174.600 -0.600 0.000 1.079 285 S CA -0.267 57.637 58.200 -0.492 0.000 0.912 285 S CB 0.450 63.193 63.200 -0.763 0.000 0.861 285 S HN 0.064 nan 8.310 nan 0.000 0.484 286 F N 1.434 121.366 119.950 -0.029 0.000 3.084 286 F HA 0.506 5.033 4.527 0.001 0.000 0.232 286 F C 0.572 176.318 175.800 -0.089 0.000 1.511 286 F CA -1.321 56.646 58.000 -0.055 0.000 0.942 286 F CB -0.439 38.525 39.000 -0.059 0.000 1.935 286 F HN -0.352 nan 8.300 nan 0.000 0.403 287 R N 2.877 123.417 120.500 0.066 0.000 2.513 287 R HA 0.035 4.375 4.340 0.001 0.000 0.333 287 R C -1.867 174.398 176.300 -0.059 0.000 0.925 287 R CA -0.623 55.416 56.100 -0.102 0.000 1.072 287 R CB -0.262 29.809 30.300 -0.381 0.000 0.914 287 R HN 0.218 nan 8.270 nan 0.000 0.408 288 P HA -0.096 nan 4.420 nan 0.000 0.229 288 P C -0.061 177.234 177.300 -0.007 0.000 1.160 288 P CA 0.898 63.989 63.100 -0.015 0.000 0.777 288 P CB 0.399 32.092 31.700 -0.012 0.000 0.814 289 D N -0.592 119.798 120.400 -0.017 0.000 2.348 289 D HA 0.005 4.646 4.640 0.001 0.000 0.211 289 D C 1.233 177.555 176.300 0.037 0.000 0.998 289 D CA 0.355 54.360 54.000 0.008 0.000 0.873 289 D CB -0.045 40.759 40.800 0.007 0.000 0.925 289 D HN 0.121 nan 8.370 nan 0.000 0.524 293 G N 0.556 109.439 108.800 0.138 0.000 2.606 293 G HA2 0.587 4.547 3.960 0.001 0.000 0.262 293 G HA3 0.587 4.547 3.960 0.001 0.000 0.262 293 G C -0.805 174.149 174.900 0.090 0.000 1.394 293 G CA -0.331 44.838 45.100 0.116 0.000 1.044 293 G HN -0.174 nan 8.290 nan 0.000 0.553 294 V N 1.337 121.300 119.914 0.081 0.000 2.447 294 V HA 0.312 4.432 4.120 0.001 0.000 0.292 294 V C -2.394 173.742 176.094 0.070 0.000 1.021 294 V CA -1.353 60.991 62.300 0.075 0.000 0.850 294 V CB 1.902 33.758 31.823 0.054 0.000 1.005 294 V HN 0.481 nan 8.190 nan 0.000 0.426 295 P HA 0.234 nan 4.420 nan 0.000 0.263 295 P C 1.063 178.393 177.300 0.050 0.000 1.195 295 P CA 1.372 64.503 63.100 0.053 0.000 0.762 295 P CB 0.679 32.410 31.700 0.053 0.000 0.799 296 G N 2.473 111.288 108.800 0.024 0.000 2.176 296 G HA2 -0.328 3.632 3.960 0.001 0.000 0.253 296 G HA3 -0.328 3.632 3.960 0.001 0.000 0.253 296 G C 0.711 175.625 174.900 0.023 0.000 0.979 296 G CA 0.262 45.373 45.100 0.018 0.000 0.641 296 G HN 0.552 nan 8.290 nan 0.000 0.530 297 L N 0.381 121.624 121.223 0.032 0.000 2.013 297 L HA 0.100 4.440 4.340 0.001 0.000 0.212 297 L C 2.577 179.486 176.870 0.064 0.000 1.073 297 L CA 3.009 57.870 54.840 0.036 0.000 0.753 297 L CB -0.574 41.505 42.059 0.035 0.000 0.890 297 L HN 0.451 nan 8.230 nan 0.000 0.432 298 L N -1.023 120.239 121.223 0.065 0.000 2.042 298 L HA -0.214 4.127 4.340 0.001 0.000 0.210 298 L C 2.729 179.644 176.870 0.074 0.000 1.076 298 L CA 2.168 57.069 54.840 0.102 0.000 0.749 298 L CB -1.003 41.055 42.059 -0.003 0.000 0.893 298 L HN 0.496 nan 8.230 nan 0.000 0.432 299 S N -1.479 114.229 115.700 0.014 0.000 2.368 299 S HA -0.159 4.312 4.470 0.001 0.000 0.225 299 S C 1.958 176.568 174.600 0.017 0.000 1.030 299 S CA 1.551 59.750 58.200 -0.001 0.000 0.999 299 S CB -0.430 62.763 63.200 -0.012 0.000 0.844 299 S HN 0.322 nan 8.310 nan 0.000 0.459 300 V N 0.864 120.801 119.914 0.037 0.000 2.343 300 V HA -0.112 4.009 4.120 0.001 0.000 0.247 300 V C 2.156 178.295 176.094 0.075 0.000 1.051 300 V CA 2.054 64.374 62.300 0.033 0.000 1.036 300 V CB -1.049 30.782 31.823 0.013 0.000 0.654 300 V HN 0.677 nan 8.190 nan 0.000 0.451 301 Y N 1.540 121.814 120.300 -0.043 0.000 2.145 301 Y HA -0.177 4.373 4.550 0.001 0.000 0.286 301 Y C 2.687 178.559 175.900 -0.045 0.000 1.145 301 Y CA 1.622 59.696 58.100 -0.044 0.000 1.148 301 Y CB -0.431 38.011 38.460 -0.029 0.000 0.981 301 Y HN 0.093 nan 8.280 nan 0.000 0.507 302 R N -0.038 120.389 120.500 -0.121 0.000 2.152 302 R HA -0.121 4.220 4.340 0.001 0.000 0.232 302 R C 1.143 177.353 176.300 -0.151 0.000 1.117 302 R CA 1.323 57.295 56.100 -0.213 0.000 0.981 302 R CB -0.228 30.002 30.300 -0.116 0.000 0.870 302 R HN 0.410 nan 8.270 nan 0.000 0.451 303 N N -0.433 118.218 118.700 -0.082 0.000 2.235 303 N HA 0.050 4.791 4.740 0.001 0.000 0.209 303 N C 0.403 175.882 175.510 -0.053 0.000 1.122 303 N CA 0.729 53.744 53.050 -0.059 0.000 0.845 303 N CB 1.558 40.025 38.487 -0.033 0.000 1.004 303 N HN 0.337 nan 8.380 nan 0.000 0.499 304 G N 0.594 109.355 108.800 -0.064 0.000 2.160 304 G HA2 -0.265 3.696 3.960 0.001 0.000 0.251 304 G HA3 -0.265 3.696 3.960 0.001 0.000 0.251 304 G C 0.945 175.828 174.900 -0.029 0.000 1.008 304 G CA 0.322 45.393 45.100 -0.048 0.000 0.724 304 G HN 0.467 nan 8.290 nan 0.000 0.514 305 G N -1.649 107.140 108.800 -0.019 0.000 2.880 305 G HA2 0.478 4.438 3.960 0.001 0.000 0.209 305 G HA3 0.478 4.438 3.960 0.001 0.000 0.209 305 G C 0.385 175.255 174.900 -0.050 0.000 1.157 305 G CA 1.112 46.188 45.100 -0.040 0.000 0.779 305 G HN 1.422 nan 8.290 nan 0.000 0.539 306 V N -0.944 118.973 119.914 0.004 0.000 3.204 306 V HA 0.599 4.720 4.120 0.001 0.000 0.298 306 V C -1.337 174.812 176.094 0.091 0.000 1.328 306 V CA -0.614 61.682 62.300 -0.005 0.000 1.035 306 V CB 2.361 34.155 31.823 -0.050 0.000 1.095 306 V HN 0.001 nan 8.190 nan 0.000 0.442 307 T N 5.417 119.975 114.554 0.007 0.000 2.797 307 T HA 0.645 4.995 4.350 0.001 0.000 0.279 307 T C -0.672 173.904 174.700 -0.207 0.000 0.991 307 T CA -0.252 61.854 62.100 0.009 0.000 0.979 307 T CB 1.010 69.868 68.868 -0.016 0.000 0.943 307 T HN 0.493 nan 8.240 nan 0.000 0.444 308 L N 2.623 123.555 121.223 -0.484 0.000 2.307 308 L HA 0.800 5.140 4.340 0.001 0.000 0.284 308 L C 0.014 176.650 176.870 -0.390 0.000 1.023 308 L CA -0.974 53.544 54.840 -0.538 0.000 0.810 308 L CB 1.412 42.946 42.059 -0.876 0.000 1.231 308 L HN 0.706 nan 8.230 nan 0.000 0.423 309 A N 2.854 125.482 122.820 -0.320 0.000 2.385 309 A HA 0.572 4.892 4.320 0.001 0.000 0.290 309 A C -0.846 176.739 177.584 0.002 0.000 1.094 309 A CA -0.774 51.025 52.037 -0.396 0.000 0.729 309 A CB 0.819 19.326 19.000 -0.823 0.000 1.194 309 A HN 0.659 nan 8.150 nan 0.000 0.442 310 N N 1.285 120.069 118.700 0.140 0.000 2.444 310 N HA 0.467 5.207 4.740 0.001 0.000 0.255 310 N C 0.673 176.279 175.510 0.160 0.000 1.255 310 N CA 0.472 53.685 53.050 0.272 0.000 0.933 310 N CB 0.874 39.531 38.487 0.285 0.000 1.143 310 N HN 0.871 nan 8.380 nan 0.000 0.453 311 A N 0.524 123.512 122.820 0.280 0.000 2.492 311 A HA 0.133 4.453 4.320 0.001 0.000 0.236 311 A C 0.237 177.940 177.584 0.199 0.000 1.078 311 A CA -0.296 51.880 52.037 0.231 0.000 0.773 311 A CB 0.073 19.249 19.000 0.294 0.000 1.023 311 A HN 0.419 nan 8.150 nan 0.000 0.504 312 V N 1.141 121.179 119.914 0.207 0.000 2.637 312 V HA 0.458 4.579 4.120 0.001 0.000 0.296 312 V C 1.505 177.685 176.094 0.143 0.000 1.046 312 V CA 1.442 63.833 62.300 0.152 0.000 1.066 312 V CB 0.422 32.375 31.823 0.218 0.000 0.968 312 V HN 2.015 nan 8.190 nan 0.000 0.483 313 G N 3.488 112.345 108.800 0.095 0.000 2.132 313 G HA2 -0.275 3.686 3.960 0.001 0.000 0.234 313 G HA3 -0.275 3.686 3.960 0.001 0.000 0.234 313 G C 0.761 175.834 174.900 0.289 0.000 0.989 313 G CA 0.699 45.883 45.100 0.139 0.000 0.676 313 G HN 1.105 nan 8.290 nan 0.000 0.522 314 T N -2.456 112.251 114.554 0.255 0.000 3.055 314 T HA 0.229 4.580 4.350 0.001 0.000 0.265 314 T C 2.445 177.275 174.700 0.216 0.000 1.111 314 T CA 1.452 63.707 62.100 0.258 0.000 1.118 314 T CB -0.135 68.887 68.868 0.257 0.000 0.909 314 T HN 1.200 nan 8.240 nan 0.000 0.501 315 G N 1.001 109.910 108.800 0.183 0.000 2.462 315 G HA2 -0.157 3.803 3.960 0.001 0.000 0.220 315 G HA3 -0.157 3.803 3.960 0.001 0.000 0.220 315 G C 1.542 176.553 174.900 0.185 0.000 1.121 315 G CA 0.731 45.927 45.100 0.160 0.000 0.758 315 G HN 0.473 nan 8.290 nan 0.000 0.559 316 V N 0.741 120.790 119.914 0.225 0.000 2.759 316 V HA 0.100 4.220 4.120 0.001 0.000 0.256 316 V C 2.882 179.166 176.094 0.316 0.000 1.080 316 V CA 2.213 64.670 62.300 0.261 0.000 1.101 316 V CB -0.209 31.782 31.823 0.279 0.000 0.698 316 V HN 0.419 nan 8.190 nan 0.000 0.477 317 A N 0.360 123.370 122.820 0.316 0.000 2.030 317 A HA -0.024 4.297 4.320 0.001 0.000 0.215 317 A C 1.716 179.408 177.584 0.180 0.000 1.164 317 A CA 1.098 53.320 52.037 0.308 0.000 0.697 317 A CB -0.233 18.977 19.000 0.349 0.000 0.827 317 A HN 0.738 nan 8.150 nan 0.000 0.457 318 D N -0.566 119.938 120.400 0.173 0.000 2.395 318 D HA 0.085 4.725 4.640 0.001 0.000 0.213 318 D C -0.077 176.301 176.300 0.130 0.000 1.110 318 D CA -0.285 53.804 54.000 0.148 0.000 0.835 318 D CB -0.684 40.196 40.800 0.134 0.000 0.965 318 D HN 0.301 nan 8.370 nan 0.000 0.505 319 D N 1.360 121.842 120.400 0.138 0.000 2.443 319 D HA -0.076 4.564 4.640 0.001 0.000 0.239 319 D C 1.879 178.246 176.300 0.112 0.000 1.136 319 D CA -0.102 53.968 54.000 0.117 0.000 0.879 319 D CB 1.083 41.962 40.800 0.131 0.000 1.195 319 D HN -0.096 nan 8.370 nan 0.000 0.443 320 K N 3.036 123.480 120.400 0.073 0.000 2.160 320 K HA -0.237 4.083 4.320 0.001 0.000 0.206 320 K C 0.344 176.998 176.600 0.090 0.000 1.047 320 K CA 1.595 57.913 56.287 0.051 0.000 0.930 320 K CB -0.091 32.417 32.500 0.013 0.000 0.720 320 K HN 0.492 nan 8.250 nan 0.000 0.450 321 D N 0.480 120.939 120.400 0.098 0.000 2.317 321 D HA -0.019 4.621 4.640 0.001 0.000 0.211 321 D C 1.188 177.576 176.300 0.145 0.000 0.966 321 D CA 1.043 55.107 54.000 0.106 0.000 0.876 321 D CB 0.234 41.106 40.800 0.119 0.000 0.927 321 D HN 0.351 nan 8.370 nan 0.000 0.519 322 T N -0.431 114.220 114.554 0.162 0.000 3.044 322 T HA -0.077 4.274 4.350 0.001 0.000 0.255 322 T C 1.699 176.439 174.700 0.067 0.000 1.073 322 T CA -0.106 62.105 62.100 0.186 0.000 1.125 322 T CB -0.170 68.780 68.868 0.137 0.000 0.908 322 T HN 0.133 nan 8.240 nan 0.000 0.480 323 Y N 3.421 123.689 120.300 -0.053 0.000 2.173 323 Y HA -0.274 4.276 4.550 0.001 0.000 0.282 323 Y C 1.921 177.724 175.900 -0.161 0.000 1.192 323 Y CA 1.553 59.602 58.100 -0.084 0.000 1.176 323 Y CB -0.686 37.739 38.460 -0.058 0.000 0.969 323 Y HN 0.401 nan 8.280 nan 0.000 0.519 324 I N -2.883 117.484 120.570 -0.338 0.000 2.756 324 I HA -0.197 3.974 4.170 0.001 0.000 0.262 324 I C 1.008 176.748 176.117 -0.628 0.000 1.225 324 I CA 1.257 62.227 61.300 -0.551 0.000 1.472 324 I CB -0.752 36.938 38.000 -0.517 0.000 1.094 324 I HN 0.081 nan 8.210 nan 0.000 0.454 325 Y N 0.564 120.726 120.300 -0.230 0.000 2.482 325 Y HA 0.225 4.776 4.550 0.001 0.000 0.270 325 Y C 2.335 178.085 175.900 -0.250 0.000 1.152 325 Y CA -0.018 57.944 58.100 -0.229 0.000 1.292 325 Y CB -0.552 37.763 38.460 -0.242 0.000 1.070 325 Y HN -0.041 nan 8.280 nan 0.000 0.528 326 V N 1.280 121.075 119.914 -0.198 0.000 2.287 326 V HA -0.249 3.871 4.120 0.001 0.000 0.248 326 V C -0.258 175.773 176.094 -0.105 0.000 1.053 326 V CA 1.989 64.187 62.300 -0.170 0.000 1.027 326 V CB -1.674 30.025 31.823 -0.207 0.000 0.646 326 V HN 0.279 nan 8.190 nan 0.000 0.447 327 P HA -0.082 nan 4.420 nan 0.000 0.216 327 P C 0.865 178.148 177.300 -0.029 0.000 1.150 327 P CA 1.091 64.144 63.100 -0.078 0.000 0.837 327 P CB 0.009 31.648 31.700 -0.101 0.000 0.786 331 R N 0.821 121.355 120.500 0.057 0.000 2.073 331 R HA -0.105 4.235 4.340 0.001 0.000 0.234 331 R C 2.169 178.489 176.300 0.034 0.000 1.134 331 R CA 2.271 58.393 56.100 0.036 0.000 0.952 331 R CB -0.366 29.952 30.300 0.030 0.000 0.850 331 R HN 0.256 nan 8.270 nan 0.000 0.433 332 F N 0.349 120.216 119.950 -0.139 0.000 2.084 332 F HA -0.192 4.336 4.527 0.000 0.000 0.296 332 F C 1.704 177.340 175.800 -0.273 0.000 1.111 332 F CA 1.422 59.260 58.000 -0.271 0.000 1.224 332 F CB -0.185 38.537 39.000 -0.462 0.000 0.991 332 F HN -0.091 nan 8.300 nan 0.000 0.471 333 Y N -0.264 120.088 120.300 0.088 0.000 2.314 333 Y HA 0.059 4.609 4.550 0.001 0.000 0.294 333 Y C 1.981 177.851 175.900 -0.049 0.000 1.119 333 Y CA 1.056 59.153 58.100 -0.006 0.000 1.179 333 Y CB -0.454 38.080 38.460 0.124 0.000 1.025 333 Y HN 0.016 nan 8.280 nan 0.000 0.541 334 L N -1.800 119.490 121.223 0.112 0.000 2.638 334 L HA 0.339 4.679 4.340 0.001 0.000 0.232 334 L C 1.482 178.352 176.870 0.001 0.000 1.099 334 L CA 0.474 55.346 54.840 0.053 0.000 0.883 334 L CB -0.077 42.020 42.059 0.063 0.000 1.136 334 L HN 0.281 nan 8.230 nan 0.000 0.492 335 G N 1.280 110.066 108.800 -0.024 0.000 2.249 335 G HA2 -0.263 3.698 3.960 0.001 0.000 0.273 335 G HA3 -0.263 3.698 3.960 0.001 0.000 0.273 335 G C -0.031 174.858 174.900 -0.018 0.000 1.036 335 G CA 0.384 45.462 45.100 -0.037 0.000 0.824 335 G HN 0.479 nan 8.290 nan 0.000 0.504 336 E N -0.659 119.538 120.200 -0.005 0.000 2.359 336 E HA 0.499 4.850 4.350 0.001 0.000 0.266 336 E C -0.517 176.079 176.600 -0.005 0.000 0.920 336 E CA -1.072 55.324 56.400 -0.006 0.000 0.788 336 E CB 1.283 30.981 29.700 -0.004 0.000 1.279 336 E HN 0.104 nan 8.360 nan 0.000 0.438 337 E N 1.845 122.038 120.200 -0.012 0.000 2.301 337 E HA 0.236 4.586 4.350 0.001 0.000 0.275 337 E C -2.324 174.264 176.600 -0.021 0.000 1.030 337 E CA -2.102 54.288 56.400 -0.016 0.000 0.852 337 E CB 0.678 30.366 29.700 -0.019 0.000 1.060 337 E HN 0.166 nan 8.360 nan 0.000 0.401 338 P HA 0.076 nan 4.420 nan 0.000 0.264 338 P C 0.626 177.899 177.300 -0.045 0.000 1.193 338 P CA 0.258 63.338 63.100 -0.034 0.000 0.763 338 P CB 0.488 32.163 31.700 -0.042 0.000 0.810 339 I N 2.246 122.786 120.570 -0.050 0.000 2.233 339 I HA -0.102 4.068 4.170 0.001 0.000 0.243 339 I C 0.960 177.033 176.117 -0.073 0.000 1.093 339 I CA 1.038 62.302 61.300 -0.061 0.000 1.380 339 I CB -0.142 37.816 38.000 -0.070 0.000 1.067 339 I HN 0.224 nan 8.210 nan 0.000 0.413 340 L N 0.207 121.386 121.223 -0.073 0.000 2.325 340 L HA 0.311 4.652 4.340 0.001 0.000 0.279 340 L C -0.000 176.829 176.870 -0.068 0.000 1.054 340 L CA -0.294 54.502 54.840 -0.073 0.000 0.804 340 L CB 1.491 43.516 42.059 -0.056 0.000 1.200 340 L HN -0.023 nan 8.230 nan 0.000 0.436 341 S N 1.415 117.056 115.700 -0.098 0.000 2.585 341 S HA 0.306 4.776 4.470 0.001 0.000 0.277 341 S C -0.096 174.557 174.600 0.088 0.000 1.241 341 S CA -0.677 57.498 58.200 -0.042 0.000 1.041 341 S CB 1.154 64.291 63.200 -0.104 0.000 0.987 341 S HN 0.504 nan 8.310 nan 0.000 0.512 342 N N 0.633 119.364 118.700 0.051 0.000 2.381 342 N HA 0.312 5.052 4.740 0.001 0.000 0.254 342 N C -0.828 174.810 175.510 0.214 0.000 1.264 342 N CA -0.210 52.874 53.050 0.057 0.000 0.942 342 N CB 0.473 38.828 38.487 -0.219 0.000 1.190 342 N HN 0.264 nan 8.380 nan 0.000 0.495 343 V N 2.526 122.590 119.914 0.248 0.000 2.427 343 V HA 0.350 4.470 4.120 0.001 0.000 0.286 343 V C -2.092 174.034 176.094 0.054 0.000 1.034 343 V CA -1.719 60.643 62.300 0.103 0.000 0.893 343 V CB 1.453 33.299 31.823 0.039 0.000 0.982 343 V HN 0.646 nan 8.190 nan 0.000 0.452 344 P HA 0.145 nan 4.420 nan 0.000 0.260 344 P C -0.465 176.707 177.300 -0.213 0.000 1.185 344 P CA 0.440 63.438 63.100 -0.171 0.000 0.763 344 P CB 0.117 31.694 31.700 -0.205 0.000 0.776 345 T N 3.547 117.956 114.554 -0.241 0.000 2.848 345 T HA 0.400 4.751 4.350 0.001 0.000 0.285 345 T C -0.730 173.810 174.700 -0.266 0.000 0.995 345 T CA -0.331 61.676 62.100 -0.155 0.000 0.970 345 T CB 0.479 69.365 68.868 0.029 0.000 0.976 345 T HN 0.086 nan 8.240 nan 0.000 0.441 346 Y N 1.801 122.112 120.300 0.019 0.000 2.320 346 Y HA 0.471 5.022 4.550 0.001 0.000 0.334 346 Y C 0.569 176.496 175.900 0.044 0.000 1.055 346 Y CA -0.972 57.143 58.100 0.026 0.000 1.143 346 Y CB 1.047 39.541 38.460 0.057 0.000 1.193 346 Y HN 0.437 nan 8.280 nan 0.000 0.477 347 Q N 3.099 123.002 119.800 0.173 0.000 2.398 347 Q HA 0.271 4.612 4.340 0.001 0.000 0.251 347 Q C 0.081 176.169 176.000 0.146 0.000 0.999 347 Q CA -0.232 55.650 55.803 0.132 0.000 0.874 347 Q CB 0.953 29.741 28.738 0.083 0.000 1.215 347 Q HN 0.710 nan 8.270 nan 0.000 0.470 348 L N 0.821 122.141 121.223 0.161 0.000 2.549 348 L HA -0.143 4.198 4.340 0.001 0.000 0.230 348 L C 1.706 178.646 176.870 0.117 0.000 1.162 348 L CA 1.253 56.180 54.840 0.145 0.000 0.834 348 L CB -0.531 41.630 42.059 0.169 0.000 0.947 348 L HN 0.652 nan 8.230 nan 0.000 0.452 349 S N -1.903 113.861 115.700 0.106 0.000 2.515 349 S HA -0.043 4.427 4.470 0.001 0.000 0.231 349 S C 0.847 175.491 174.600 0.073 0.000 0.987 349 S CA 0.262 58.511 58.200 0.083 0.000 0.936 349 S CB -0.315 62.929 63.200 0.073 0.000 0.766 349 S HN 0.352 nan 8.310 nan 0.000 0.528 350 K N 0.798 121.247 120.400 0.081 0.000 2.213 350 K HA 0.651 4.971 4.320 0.001 0.000 0.270 350 K C 0.993 177.637 176.600 0.073 0.000 1.002 350 K CA 0.022 56.352 56.287 0.073 0.000 0.868 350 K CB 1.459 34.005 32.500 0.077 0.000 1.093 350 K HN 0.105 nan 8.250 nan 0.000 0.454 351 A N 3.087 125.942 122.820 0.058 0.000 1.908 351 A HA -0.225 4.096 4.320 0.001 0.000 0.218 351 A C 1.294 178.915 177.584 0.061 0.000 1.181 351 A CA 1.838 53.906 52.037 0.051 0.000 0.627 351 A CB -0.324 18.700 19.000 0.040 0.000 0.818 351 A HN 0.787 nan 8.150 nan 0.000 0.445 352 D N 0.058 120.499 120.400 0.069 0.000 2.117 352 D HA -0.103 4.538 4.640 0.001 0.000 0.197 352 D C 1.351 177.724 176.300 0.123 0.000 0.987 352 D CA 1.495 55.545 54.000 0.084 0.000 0.829 352 D CB -0.426 40.418 40.800 0.073 0.000 0.961 352 D HN 0.421 nan 8.370 nan 0.000 0.460 353 D N -0.167 120.315 120.400 0.138 0.000 2.123 353 D HA -0.080 4.561 4.640 0.001 0.000 0.200 353 D C 2.033 178.409 176.300 0.126 0.000 0.976 353 D CA 0.196 54.314 54.000 0.196 0.000 0.831 353 D CB -0.318 40.623 40.800 0.235 0.000 0.974 353 D HN 0.073 nan 8.370 nan 0.000 0.469 354 L N 1.254 122.532 121.223 0.091 0.000 2.046 354 L HA -0.153 4.187 4.340 0.001 0.000 0.208 354 L C 2.000 178.883 176.870 0.022 0.000 1.077 354 L CA 1.828 56.699 54.840 0.051 0.000 0.747 354 L CB -0.474 41.613 42.059 0.045 0.000 0.896 354 L HN -0.095 nan 8.230 nan 0.000 0.432 355 K N -1.796 118.627 120.400 0.038 0.000 2.026 355 K HA -0.286 4.035 4.320 0.001 0.000 0.208 355 K C 2.316 178.912 176.600 -0.005 0.000 1.048 355 K CA 1.991 58.289 56.287 0.018 0.000 0.929 355 K CB -0.585 31.939 32.500 0.039 0.000 0.713 355 K HN 0.415 nan 8.250 nan 0.000 0.439 356 Y N 1.204 121.453 120.300 -0.085 0.000 2.114 356 Y HA -0.234 4.316 4.550 0.001 0.000 0.284 356 Y C 1.958 177.721 175.900 -0.228 0.000 1.143 356 Y CA 1.725 59.734 58.100 -0.151 0.000 1.135 356 Y CB -0.282 38.070 38.460 -0.180 0.000 0.980 356 Y HN -0.129 nan 8.280 nan 0.000 0.499 357 V N 0.692 120.516 119.914 -0.150 0.000 2.287 357 V HA -0.354 3.766 4.120 0.001 0.000 0.248 357 V C 2.440 178.418 176.094 -0.194 0.000 1.053 357 V CA 2.194 64.369 62.300 -0.208 0.000 1.027 357 V CB -0.873 30.884 31.823 -0.110 0.000 0.646 357 V HN 0.461 nan 8.190 nan 0.000 0.447 358 L N -0.080 121.063 121.223 -0.133 0.000 2.191 358 L HA -0.186 4.154 4.340 0.001 0.000 0.212 358 L C 2.198 178.981 176.870 -0.146 0.000 1.103 358 L CA 1.757 56.530 54.840 -0.112 0.000 0.769 358 L CB -0.535 41.478 42.059 -0.076 0.000 0.908 358 L HN 0.401 nan 8.230 nan 0.000 0.438 359 D N -0.310 119.964 120.400 -0.209 0.000 2.289 359 D HA -0.085 4.555 4.640 0.001 0.000 0.207 359 D C 1.080 177.205 176.300 -0.291 0.000 0.966 359 D CA 0.719 54.581 54.000 -0.229 0.000 0.868 359 D CB 0.289 40.948 40.800 -0.235 0.000 0.943 359 D HN 0.190 nan 8.370 nan 0.000 0.514 360 N N 0.306 118.775 118.700 -0.386 0.000 2.433 360 N HA 0.027 4.768 4.740 0.001 0.000 0.270 360 N C 0.836 176.208 175.510 -0.230 0.000 1.354 360 N CA -0.094 52.743 53.050 -0.355 0.000 0.889 360 N CB 1.025 39.160 38.487 -0.586 0.000 1.285 360 N HN 0.101 nan 8.380 nan 0.000 0.503 361 L N 1.707 122.824 121.223 -0.177 0.000 2.081 361 L HA -0.088 4.253 4.340 0.001 0.000 0.212 361 L C 2.102 178.908 176.870 -0.107 0.000 1.080 361 L CA 1.665 56.431 54.840 -0.123 0.000 0.754 361 L CB -0.297 41.709 42.059 -0.088 0.000 0.893 361 L HN 0.211 nan 8.230 nan 0.000 0.433 362 A N -1.777 120.983 122.820 -0.100 0.000 2.235 362 A HA -0.055 4.265 4.320 0.001 0.000 0.208 362 A C 1.840 179.379 177.584 -0.075 0.000 1.172 362 A CA 1.037 53.024 52.037 -0.083 0.000 0.786 362 A CB -0.412 18.546 19.000 -0.071 0.000 0.804 362 A HN 0.608 nan 8.150 nan 0.000 0.479 363 E N -1.155 118.999 120.200 -0.076 0.000 2.539 363 E HA 0.321 4.672 4.350 0.001 0.000 0.215 363 E C -0.316 176.262 176.600 -0.036 0.000 0.965 363 E CA -0.162 56.207 56.400 -0.051 0.000 1.019 363 E CB 0.465 30.140 29.700 -0.042 0.000 1.059 363 E HN 0.526 nan 8.360 nan 0.000 0.496 364 L N 0.245 121.437 121.223 -0.050 0.000 2.271 364 L HA 0.537 4.878 4.340 0.001 0.000 0.265 364 L C -0.465 176.373 176.870 -0.054 0.000 1.013 364 L CA -1.308 53.517 54.840 -0.025 0.000 0.820 364 L CB 1.822 43.874 42.059 -0.012 0.000 1.352 364 L HN -0.245 nan 8.230 nan 0.000 0.443 365 V N 1.637 121.533 119.914 -0.030 0.000 2.384 365 V HA 0.406 4.526 4.120 0.001 0.000 0.287 365 V C -0.329 175.757 176.094 -0.013 0.000 1.020 365 V CA -0.573 61.694 62.300 -0.055 0.000 0.850 365 V CB 1.834 33.625 31.823 -0.054 0.000 0.987 365 V HN 0.376 nan 8.190 nan 0.000 0.436 366 V N 5.669 125.557 119.914 -0.043 0.000 2.459 366 V HA 0.593 4.713 4.120 0.001 0.000 0.295 366 V C -0.181 176.016 176.094 0.171 0.000 1.029 366 V CA -0.871 61.483 62.300 0.090 0.000 0.874 366 V CB 1.722 33.629 31.823 0.140 0.000 0.985 366 V HN 0.881 nan 8.190 nan 0.000 0.438 367 K N 2.944 123.497 120.400 0.255 0.000 2.426 367 K HA 0.575 4.896 4.320 0.001 0.000 0.251 367 K C -0.774 175.966 176.600 0.234 0.000 0.941 367 K CA -0.873 55.549 56.287 0.223 0.000 0.808 367 K CB 2.587 35.139 32.500 0.085 0.000 1.265 367 K HN 0.833 nan 8.250 nan 0.000 0.432 368 E N 1.131 121.380 120.200 0.082 0.000 2.313 368 E HA 0.132 4.483 4.350 0.001 0.000 0.272 368 E C 0.280 176.794 176.600 -0.142 0.000 1.038 368 E CA -0.753 55.492 56.400 -0.259 0.000 0.863 368 E CB 1.093 30.558 29.700 -0.392 0.000 1.060 368 E HN 0.148 nan 8.360 nan 0.000 0.402 369 V N 1.201 121.009 119.914 -0.176 0.000 2.231 369 V HA -0.049 4.071 4.120 0.001 0.000 0.240 369 V C 1.034 177.090 176.094 -0.063 0.000 1.039 369 V CA 2.456 64.705 62.300 -0.086 0.000 0.998 369 V CB -0.800 30.985 31.823 -0.065 0.000 0.639 369 V HN 0.915 nan 8.190 nan 0.000 0.451 379 V N 5.736 125.501 119.914 -0.248 0.000 2.270 379 V HA 0.375 4.496 4.120 0.001 0.000 0.263 379 V C 1.474 177.478 176.094 -0.150 0.000 1.066 379 V CA 0.410 62.612 62.300 -0.164 0.000 0.857 379 V CB 0.407 32.159 31.823 -0.118 0.000 1.099 379 V HN 1.002 nan 8.190 nan 0.000 0.476 380 G N 6.332 115.043 108.800 -0.148 0.000 2.574 380 G HA2 -0.202 3.758 3.960 0.001 0.000 0.220 380 G HA3 -0.202 3.758 3.960 0.001 0.000 0.220 380 G C -0.383 174.464 174.900 -0.088 0.000 1.173 380 G CA 1.368 46.396 45.100 -0.120 0.000 0.772 380 G HN 0.661 nan 8.290 nan 0.000 0.585 381 P HA 0.157 nan 4.420 nan 0.000 0.226 381 P C 1.037 178.306 177.300 -0.051 0.000 1.153 381 P CA 1.416 64.482 63.100 -0.055 0.000 0.777 381 P CB 0.148 31.820 31.700 -0.047 0.000 0.794 382 A N -1.210 121.574 122.820 -0.060 0.000 2.684 382 A HA 0.646 4.966 4.320 0.001 0.000 0.288 382 A C 0.584 178.134 177.584 -0.057 0.000 1.337 382 A CA -0.161 51.845 52.037 -0.051 0.000 0.946 382 A CB -0.545 18.426 19.000 -0.049 0.000 1.093 382 A HN 0.167 nan 8.150 nan 0.000 0.543 383 A N 0.136 122.920 122.820 -0.061 0.000 2.435 383 A HA 0.733 5.054 4.320 0.001 0.000 0.304 383 A C 0.255 177.813 177.584 -0.043 0.000 1.064 383 A CA 0.058 52.059 52.037 -0.059 0.000 0.727 383 A CB 0.932 19.880 19.000 -0.086 0.000 1.284 383 A HN 0.961 nan 8.150 nan 0.000 0.415 384 S N 0.865 116.546 115.700 -0.032 0.000 2.652 384 S HA 0.561 5.031 4.470 0.001 0.000 0.270 384 S C 1.378 175.964 174.600 -0.022 0.000 1.243 384 S CA 0.313 58.498 58.200 -0.024 0.000 0.999 384 S CB 1.263 64.454 63.200 -0.016 0.000 0.973 384 S HN 1.530 nan 8.310 nan 0.000 0.544 385 K N 0.462 120.850 120.400 -0.020 0.000 2.113 385 K HA -0.147 4.173 4.320 0.001 0.000 0.208 385 K C 2.170 178.764 176.600 -0.011 0.000 1.047 385 K CA 2.062 58.337 56.287 -0.019 0.000 0.928 385 K CB -1.360 31.129 32.500 -0.018 0.000 0.716 385 K HN 0.664 nan 8.250 nan 0.000 0.446 386 Q N 0.189 119.985 119.800 -0.007 0.000 1.994 386 Q HA -0.144 4.197 4.340 0.001 0.000 0.198 386 Q C 2.294 178.301 176.000 0.011 0.000 0.976 386 Q CA 2.035 57.838 55.803 0.001 0.000 0.828 386 Q CB -0.124 28.615 28.738 0.001 0.000 0.894 386 Q HN 0.948 nan 8.270 nan 0.000 0.432 387 E N 0.004 120.211 120.200 0.012 0.000 2.204 387 E HA -0.153 4.198 4.350 0.001 0.000 0.195 387 E C 2.183 178.811 176.600 0.047 0.000 0.990 387 E CA 0.646 57.065 56.400 0.032 0.000 0.821 387 E CB -0.381 29.330 29.700 0.017 0.000 0.750 387 E HN 0.254 nan 8.360 nan 0.000 0.477 388 L N 0.976 122.208 121.223 0.014 0.000 2.027 388 L HA -0.134 4.207 4.340 0.001 0.000 0.206 388 L C 2.677 179.571 176.870 0.039 0.000 1.074 388 L CA 1.200 56.048 54.840 0.012 0.000 0.745 388 L CB -0.247 41.798 42.059 -0.023 0.000 0.898 388 L HN 0.070 nan 8.230 nan 0.000 0.433 389 E N 0.022 120.232 120.200 0.017 0.000 2.150 389 E HA -0.198 4.153 4.350 0.001 0.000 0.193 389 E C 1.739 178.348 176.600 0.015 0.000 0.985 389 E CA 0.987 57.392 56.400 0.007 0.000 0.814 389 E CB -0.169 29.528 29.700 -0.004 0.000 0.752 389 E HN 0.491 nan 8.360 nan 0.000 0.466 390 D N -0.068 120.354 120.400 0.037 0.000 2.097 390 D HA -0.138 4.502 4.640 0.001 0.000 0.197 390 D C 1.817 178.136 176.300 0.032 0.000 0.984 390 D CA 0.673 54.693 54.000 0.034 0.000 0.826 390 D CB -0.413 40.419 40.800 0.055 0.000 0.973 390 D HN 0.130 nan 8.370 nan 0.000 0.460 391 F N 1.609 121.522 119.950 -0.062 0.000 2.186 391 F HA -0.083 4.444 4.527 0.001 0.000 0.299 391 F C 2.501 178.216 175.800 -0.141 0.000 1.090 391 F CA 0.957 58.899 58.000 -0.096 0.000 1.307 391 F CB 0.023 38.967 39.000 -0.093 0.000 1.019 391 F HN -0.217 nan 8.300 nan 0.000 0.489 392 R N -0.090 120.424 120.500 0.023 0.000 2.103 392 R HA -0.211 4.129 4.340 0.001 0.000 0.242 392 R C 2.214 178.446 176.300 -0.113 0.000 1.142 392 R CA 1.829 57.899 56.100 -0.051 0.000 0.960 392 R CB -0.165 30.120 30.300 -0.026 0.000 0.858 392 R HN 0.256 nan 8.270 nan 0.000 0.439 393 Q N 0.000 119.741 119.800 -0.100 0.000 2.079 393 Q HA -0.160 4.181 4.340 0.001 0.000 0.200 393 Q C 2.058 177.966 176.000 -0.153 0.000 0.974 393 Q CA 1.264 57.007 55.803 -0.099 0.000 0.840 393 Q CB -0.419 28.281 28.738 -0.064 0.000 0.898 393 Q HN 0.376 nan 8.270 nan 0.000 0.430 394 R N 0.497 120.849 120.500 -0.248 0.000 2.083 394 R HA -0.091 4.250 4.340 0.001 0.000 0.237 394 R C 2.342 178.406 176.300 -0.393 0.000 1.137 394 R CA 1.055 56.953 56.100 -0.336 0.000 0.951 394 R CB -0.237 29.722 30.300 -0.569 0.000 0.851 394 R HN 0.212 nan 8.270 nan 0.000 0.434 395 I N 0.825 121.037 120.570 -0.596 0.000 2.127 395 I HA -0.327 3.844 4.170 0.001 0.000 0.241 395 I C 2.146 178.140 176.117 -0.205 0.000 1.075 395 I CA 1.347 62.285 61.300 -0.602 0.000 1.334 395 I CB -0.214 37.476 38.000 -0.517 0.000 1.040 395 I HN 0.217 nan 8.210 nan 0.000 0.405 396 L N 0.403 121.539 121.223 -0.145 0.000 2.362 396 L HA -0.143 4.197 4.340 0.001 0.000 0.219 396 L C 2.631 179.481 176.870 -0.032 0.000 1.134 396 L CA 0.805 55.606 54.840 -0.064 0.000 0.807 396 L CB -0.596 41.429 42.059 -0.056 0.000 0.927 396 L HN 0.240 nan 8.230 nan 0.000 0.447 397 A N -0.536 122.261 122.820 -0.039 0.000 2.014 397 A HA -0.112 4.208 4.320 0.001 0.000 0.218 397 A C 1.095 178.696 177.584 0.028 0.000 1.163 397 A CA 1.297 53.329 52.037 -0.009 0.000 0.652 397 A CB -0.136 18.852 19.000 -0.020 0.000 0.808 397 A HN 0.434 nan 8.150 nan 0.000 0.449 398 N N -1.705 117.038 118.700 0.073 0.000 2.884 398 N HA 0.154 4.895 4.740 0.001 0.000 0.211 398 N C -2.560 173.075 175.510 0.207 0.000 1.442 398 N CA -1.085 52.033 53.050 0.113 0.000 0.757 398 N CB 1.044 39.588 38.487 0.096 0.000 1.461 398 N HN -0.054 nan 8.380 nan 0.000 0.557 399 P HA -0.077 nan 4.420 nan 0.000 0.218 399 P C 1.059 178.486 177.300 0.212 0.000 1.149 399 P CA 0.812 64.021 63.100 0.181 0.000 0.817 399 P CB 0.274 32.023 31.700 0.082 0.000 0.785 400 A N -0.129 122.768 122.820 0.127 0.000 2.125 400 A HA -0.148 4.173 4.320 0.001 0.000 0.219 400 A C 1.728 179.345 177.584 0.055 0.000 1.156 400 A CA 1.394 53.484 52.037 0.088 0.000 0.671 400 A CB -1.326 17.709 19.000 0.058 0.000 0.794 400 A HN 0.150 nan 8.150 nan 0.000 0.459 401 N N -1.312 117.401 118.700 0.021 0.000 2.314 401 N HA 0.215 4.956 4.740 0.001 0.000 0.200 401 N C -1.018 174.244 175.510 -0.413 0.000 1.135 401 N CA 0.292 53.227 53.050 -0.191 0.000 0.835 401 N CB -0.023 38.294 38.487 -0.283 0.000 0.989 401 N HN 0.563 nan 8.380 nan 0.000 0.478 402 Y N -0.459 119.865 120.300 0.040 0.000 2.536 402 Y HA 0.556 5.106 4.550 0.001 0.000 0.347 402 Y C -0.015 175.927 175.900 0.070 0.000 1.000 402 Y CA -1.506 56.632 58.100 0.063 0.000 1.051 402 Y CB 1.428 39.935 38.460 0.079 0.000 1.259 402 Y HN -0.168 nan 8.280 nan 0.000 0.468 403 I N -0.168 120.546 120.570 0.240 0.000 2.934 403 I HA 1.057 5.228 4.170 0.001 0.000 0.306 403 I C -1.141 175.094 176.117 0.197 0.000 1.110 403 I CA -1.095 60.310 61.300 0.175 0.000 1.019 403 I CB 2.361 40.408 38.000 0.079 0.000 1.227 403 I HN 0.571 nan 8.210 nan 0.000 0.434 404 A N 3.129 126.077 122.820 0.214 0.000 2.475 404 A HA 0.887 5.207 4.320 0.001 0.000 0.301 404 A C -1.142 176.605 177.584 0.272 0.000 1.059 404 A CA -0.553 51.613 52.037 0.215 0.000 0.710 404 A CB 1.822 20.935 19.000 0.188 0.000 1.288 404 A HN 0.803 nan 8.150 nan 0.000 0.408 405 Q N 1.251 121.157 119.800 0.178 0.000 2.456 405 Q HA 0.538 4.878 4.340 0.001 0.000 0.283 405 Q C -2.735 173.336 176.000 0.119 0.000 1.084 405 Q CA -2.117 53.768 55.803 0.137 0.000 0.801 405 Q CB 3.080 31.830 28.738 0.020 0.000 1.434 405 Q HN 0.580 nan 8.270 nan 0.000 0.419 406 P HA -0.026 nan 4.420 nan 0.000 0.269 406 P C -0.703 176.584 177.300 -0.022 0.000 1.209 406 P CA -0.071 63.063 63.100 0.058 0.000 0.776 406 P CB 0.419 32.144 31.700 0.042 0.000 0.876 407 T N 3.693 118.228 114.554 -0.031 0.000 2.751 407 T HA 0.200 4.551 4.350 0.001 0.000 0.290 407 T C 0.584 175.232 174.700 -0.085 0.000 0.919 407 T CA 0.079 62.139 62.100 -0.066 0.000 1.136 407 T CB -0.573 68.257 68.868 -0.063 0.000 0.875 407 T HN 0.185 nan 8.240 nan 0.000 0.532 408 L N 2.279 123.430 121.223 -0.120 0.000 2.375 408 L HA 0.494 4.835 4.340 0.001 0.000 0.271 408 L C 1.053 177.863 176.870 -0.100 0.000 1.107 408 L CA -1.025 53.730 54.840 -0.141 0.000 0.806 408 L CB 0.614 42.548 42.059 -0.209 0.000 1.146 408 L HN 0.606 nan 8.230 nan 0.000 0.447 409 A N 3.586 126.373 122.820 -0.056 0.000 3.052 409 A HA 0.181 4.501 4.320 0.001 0.000 0.266 409 A C -0.028 177.579 177.584 0.038 0.000 1.855 409 A CA -0.394 51.646 52.037 0.004 0.000 1.473 409 A CB -0.901 18.120 19.000 0.035 0.000 1.038 409 A HN 0.489 nan 8.150 nan 0.000 0.619 410 L N 2.607 123.823 121.223 -0.011 0.000 2.628 410 L HA 0.084 4.425 4.340 0.001 0.000 0.274 410 L C 1.073 178.091 176.870 0.248 0.000 1.209 410 L CA 0.659 55.525 54.840 0.043 0.000 0.930 410 L CB -0.177 41.797 42.059 -0.141 0.000 1.183 410 L HN 0.632 nan 8.230 nan 0.000 0.492 411 S N 3.096 118.918 115.700 0.204 0.000 2.568 411 S HA 0.361 4.832 4.470 0.001 0.000 0.282 411 S C 0.188 174.900 174.600 0.187 0.000 1.338 411 S CA -0.068 58.281 58.200 0.247 0.000 1.045 411 S CB 0.184 63.564 63.200 0.300 0.000 0.873 411 S HN 0.869 nan 8.310 nan 0.000 0.516 412 T N 0.080 114.668 114.554 0.055 0.000 2.895 412 T HA 0.570 4.920 4.350 0.001 0.000 0.283 412 T C -0.278 174.354 174.700 -0.112 0.000 1.014 412 T CA -0.953 61.092 62.100 -0.093 0.000 1.037 412 T CB 0.968 69.713 68.868 -0.204 0.000 1.006 412 T HN 0.887 nan 8.240 nan 0.000 0.468 413 C N 4.120 123.343 119.300 -0.128 0.000 2.408 413 C HA 0.654 5.114 4.460 0.001 0.000 0.321 413 C C -2.734 172.135 174.990 -0.201 0.000 1.245 413 C CA -2.120 56.793 59.018 -0.176 0.000 1.523 413 C CB 0.638 28.307 27.740 -0.118 0.000 2.178 413 C HN 0.735 nan 8.230 nan 0.000 0.488 414 P HA 0.182 nan 4.420 nan 0.000 0.261 414 P C -0.768 176.443 177.300 -0.147 0.000 1.183 414 P CA 0.825 63.820 63.100 -0.175 0.000 0.761 414 P CB 0.377 31.924 31.700 -0.256 0.000 0.785 415 T N 3.875 118.374 114.554 -0.090 0.000 2.916 415 T HA 0.387 4.738 4.350 0.001 0.000 0.298 415 T C -0.145 174.531 174.700 -0.040 0.000 1.031 415 T CA -0.666 61.383 62.100 -0.085 0.000 0.993 415 T CB 0.826 69.635 68.868 -0.098 0.000 1.045 415 T HN 0.108 nan 8.240 nan 0.000 0.454 416 L N 3.650 124.860 121.223 -0.022 0.000 2.385 416 L HA 0.435 4.775 4.340 0.001 0.000 0.281 416 L C 0.571 177.442 176.870 0.003 0.000 1.106 416 L CA -0.290 54.556 54.840 0.011 0.000 0.856 416 L CB -0.016 42.069 42.059 0.044 0.000 1.186 416 L HN 0.522 nan 8.230 nan 0.000 0.453 417 V N -0.302 119.611 119.914 -0.001 0.000 3.204 417 V HA 0.636 4.756 4.120 0.001 0.000 0.316 417 V C 1.146 177.243 176.094 0.004 0.000 1.160 417 V CA 0.021 62.318 62.300 -0.005 0.000 1.044 417 V CB 1.218 33.028 31.823 -0.022 0.000 1.136 417 V HN 0.645 nan 8.190 nan 0.000 0.455 418 E N 0.156 120.357 120.200 0.002 0.000 2.070 418 E HA -0.250 4.101 4.350 0.001 0.000 0.197 418 E C 1.965 178.565 176.600 -0.000 0.000 1.004 418 E CA 2.774 59.177 56.400 0.005 0.000 0.805 418 E CB -1.605 28.096 29.700 0.001 0.000 0.744 418 E HN 1.305 nan 8.360 nan 0.000 0.451 419 T N -4.187 110.361 114.554 -0.009 0.000 3.035 419 T HA 0.420 4.770 4.350 0.001 0.000 0.268 419 T C 1.436 176.127 174.700 -0.014 0.000 1.109 419 T CA 1.290 63.381 62.100 -0.015 0.000 1.119 419 T CB 0.283 69.136 68.868 -0.025 0.000 0.900 419 T HN 1.447 nan 8.240 nan 0.000 0.503 420 G N 1.252 110.048 108.800 -0.008 0.000 2.286 420 G HA2 0.189 4.150 3.960 0.001 0.000 0.118 420 G HA3 0.189 4.150 3.960 0.001 0.000 0.118 420 G C -1.532 173.370 174.900 0.005 0.000 1.267 420 G CA -0.634 44.465 45.100 -0.001 0.000 1.171 420 G HN 0.391 nan 8.290 nan 0.000 0.465 421 I N 2.676 123.252 120.570 0.011 0.000 2.287 421 I HA 0.617 4.787 4.170 0.001 0.000 0.290 421 I C 0.636 176.755 176.117 0.004 0.000 1.069 421 I CA 0.023 61.341 61.300 0.031 0.000 1.237 421 I CB 1.129 39.186 38.000 0.094 0.000 1.418 421 I HN 0.800 nan 8.210 nan 0.000 0.481 422 A N 7.768 130.576 122.820 -0.020 0.000 2.356 422 A HA 0.890 5.210 4.320 0.001 0.000 0.323 422 A C -2.721 174.826 177.584 -0.062 0.000 1.119 422 A CA -1.906 50.100 52.037 -0.051 0.000 0.790 422 A CB 0.934 19.896 19.000 -0.063 0.000 1.273 422 A HN 0.329 nan 8.150 nan 0.000 0.452 423 P HA 0.328 nan 4.420 nan 0.000 0.271 423 P C -0.753 176.435 177.300 -0.187 0.000 1.220 423 P CA 0.064 63.090 63.100 -0.123 0.000 0.768 423 P CB 0.459 32.082 31.700 -0.128 0.000 0.848 424 R N 1.936 122.315 120.500 -0.203 0.000 2.744 424 R HA 0.381 4.721 4.340 0.001 0.000 0.279 424 R C -0.080 176.087 176.300 -0.222 0.000 0.977 424 R CA -0.784 55.181 56.100 -0.225 0.000 0.906 424 R CB 1.032 31.259 30.300 -0.123 0.000 1.197 424 R HN 0.593 nan 8.270 nan 0.000 0.463 425 H N 1.408 120.461 119.070 -0.028 0.000 2.764 425 H HA 0.220 4.777 4.556 0.001 0.000 0.341 425 H C 0.425 175.745 175.328 -0.015 0.000 1.072 425 H CA 0.109 56.148 56.048 -0.015 0.000 1.444 425 H CB 0.840 30.594 29.762 -0.013 0.000 1.458 425 H HN 0.311 nan 8.280 nan 0.000 0.572 426 V N 0.628 120.618 119.914 0.127 0.000 3.001 426 V HA 0.524 4.645 4.120 0.001 0.000 0.314 426 V C -0.326 175.823 176.094 0.093 0.000 1.099 426 V CA -1.076 61.270 62.300 0.078 0.000 0.989 426 V CB 2.495 34.347 31.823 0.048 0.000 1.040 426 V HN 0.795 nan 8.190 nan 0.000 0.434 427 D N 1.474 121.921 120.400 0.079 0.000 2.531 427 D HA 0.698 5.339 4.640 0.001 0.000 0.244 427 D C -1.450 174.910 176.300 0.101 0.000 1.090 427 D CA -0.726 53.330 54.000 0.093 0.000 0.989 427 D CB 2.280 43.120 40.800 0.066 0.000 1.433 427 D HN 0.700 nan 8.370 nan 0.000 0.492 428 L N -0.031 121.264 121.223 0.120 0.000 2.385 428 L HA 0.527 4.867 4.340 0.001 0.000 0.273 428 L C -0.793 176.117 176.870 0.066 0.000 0.990 428 L CA -0.449 54.465 54.840 0.123 0.000 0.821 428 L CB 1.686 43.860 42.059 0.191 0.000 1.279 428 L HN 0.601 nan 8.230 nan 0.000 0.412 429 R N 6.384 126.899 120.500 0.025 0.000 2.363 429 R HA 0.497 4.837 4.340 0.001 0.000 0.297 429 R C -2.687 173.472 176.300 -0.235 0.000 1.208 429 R CA -1.611 54.411 56.100 -0.130 0.000 1.121 429 R CB 1.139 31.325 30.300 -0.190 0.000 1.124 429 R HN 0.373 nan 8.270 nan 0.000 0.561 430 P HA 0.235 nan 4.420 nan 0.000 0.278 430 P C -1.030 176.101 177.300 -0.281 0.000 1.266 430 P CA -0.286 62.825 63.100 0.018 0.000 0.807 430 P CB 0.736 32.569 31.700 0.221 0.000 1.094 431 F N -0.633 119.435 119.950 0.198 0.000 2.445 431 F HA 0.265 4.793 4.527 0.001 0.000 0.348 431 F C 0.078 175.998 175.800 0.199 0.000 1.125 431 F CA -0.908 57.209 58.000 0.195 0.000 0.983 431 F CB 1.369 40.505 39.000 0.227 0.000 1.198 431 F HN -0.103 nan 8.300 nan 0.000 0.436 432 V N 5.233 125.294 119.914 0.244 0.000 2.461 432 V HA 0.286 4.407 4.120 0.001 0.000 0.275 432 V C 0.092 176.287 176.094 0.168 0.000 1.047 432 V CA -0.533 61.867 62.300 0.166 0.000 0.955 432 V CB 1.175 33.046 31.823 0.080 0.000 0.988 432 V HN 0.526 nan 8.190 nan 0.000 0.471 433 L N 4.572 125.869 121.223 0.123 0.000 2.287 433 L HA 0.539 4.879 4.340 0.001 0.000 0.287 433 L C -0.002 176.886 176.870 0.029 0.000 1.022 433 L CA -0.053 54.825 54.840 0.062 0.000 0.814 433 L CB 1.735 43.789 42.059 -0.007 0.000 1.217 433 L HN 0.586 nan 8.230 nan 0.000 0.420 434 S N 1.722 117.432 115.700 0.016 0.000 2.530 434 S HA 0.717 5.188 4.470 0.001 0.000 0.322 434 S C 0.366 174.957 174.600 -0.016 0.000 1.085 434 S CA -0.494 57.698 58.200 -0.013 0.000 1.096 434 S CB 1.913 65.089 63.200 -0.040 0.000 0.988 434 S HN 0.857 nan 8.310 nan 0.000 0.466 435 G N 2.009 110.803 108.800 -0.011 0.000 3.054 435 G HA2 0.277 4.238 3.960 0.001 0.000 0.201 435 G HA3 0.277 4.238 3.960 0.001 0.000 0.201 435 G C 0.472 175.366 174.900 -0.010 0.000 1.694 435 G CA -0.356 44.747 45.100 0.004 0.000 0.742 435 G HN 0.508 nan 8.290 nan 0.000 0.790 436 K N 0.079 120.472 120.400 -0.012 0.000 2.305 436 K HA 0.169 4.490 4.320 0.001 0.000 0.199 436 K C 0.489 177.080 176.600 -0.016 0.000 1.047 436 K CA 1.077 57.355 56.287 -0.016 0.000 0.976 436 K CB 0.239 32.730 32.500 -0.014 0.000 0.765 436 K HN 0.502 nan 8.250 nan 0.000 0.474 437 T N -2.459 112.088 114.554 -0.012 0.000 2.916 437 T HA 0.495 4.845 4.350 0.001 0.000 0.292 437 T C -0.417 174.280 174.700 -0.005 0.000 1.064 437 T CA -0.988 61.108 62.100 -0.008 0.000 1.011 437 T CB 2.165 71.032 68.868 -0.002 0.000 1.152 437 T HN -0.276 nan 8.240 nan 0.000 0.510 438 V N 2.569 122.483 119.914 -0.001 0.000 2.370 438 V HA 0.746 4.866 4.120 0.001 0.000 0.283 438 V C 0.146 176.250 176.094 0.017 0.000 1.023 438 V CA -0.493 61.810 62.300 0.005 0.000 0.857 438 V CB 0.539 32.362 31.823 -0.000 0.000 0.985 438 V HN 1.280 nan 8.190 nan 0.000 0.443 439 S N 5.057 120.777 115.700 0.034 0.000 2.638 439 S HA 0.901 5.371 4.470 0.001 0.000 0.274 439 S C -1.382 173.278 174.600 0.101 0.000 1.157 439 S CA -0.907 57.330 58.200 0.060 0.000 0.826 439 S CB 2.022 65.259 63.200 0.063 0.000 1.139 439 S HN 0.340 nan 8.310 nan 0.000 0.474 440 L N 1.293 122.611 121.223 0.159 0.000 2.386 440 L HA 0.592 4.933 4.340 0.001 0.000 0.271 440 L C -0.604 176.465 176.870 0.332 0.000 0.993 440 L CA -0.730 54.270 54.840 0.267 0.000 0.819 440 L CB 2.155 44.391 42.059 0.293 0.000 1.294 440 L HN 0.691 nan 8.230 nan 0.000 0.414 441 V N 4.528 124.634 119.914 0.320 0.000 2.614 441 V HA 0.196 4.316 4.120 0.001 0.000 0.291 441 V C -1.689 174.574 176.094 0.281 0.000 1.049 441 V CA -1.030 61.414 62.300 0.240 0.000 1.038 441 V CB 1.183 33.079 31.823 0.121 0.000 0.980 441 V HN 0.626 nan 8.190 nan 0.000 0.481 442 P HA 0.235 nan 4.420 nan 0.000 0.241 442 P C 0.006 177.045 177.300 -0.435 0.000 1.760 442 P CA 0.491 63.407 63.100 -0.307 0.000 1.081 442 P CB 0.086 31.622 31.700 -0.272 0.000 1.975 443 G N 0.206 108.827 108.800 -0.298 0.000 2.623 443 G HA2 0.691 4.652 3.960 0.001 0.000 0.290 443 G HA3 0.691 4.652 3.960 0.001 0.000 0.290 443 G C -2.070 172.887 174.900 0.095 0.000 1.437 443 G CA -0.388 44.638 45.100 -0.124 0.000 0.798 443 G HN 0.402 nan 8.290 nan 0.000 0.488 444 A N -0.775 122.138 122.820 0.156 0.000 2.608 444 A HA 0.695 5.015 4.320 0.001 0.000 0.292 444 A C -1.729 176.000 177.584 0.242 0.000 1.066 444 A CA -0.636 51.554 52.037 0.255 0.000 0.676 444 A CB 1.646 20.796 19.000 0.251 0.000 1.277 444 A HN 1.958 nan 8.150 nan 0.000 0.413 445 L N 1.232 122.623 121.223 0.281 0.000 2.313 445 L HA 0.618 4.958 4.340 0.001 0.000 0.282 445 L C -0.194 176.768 176.870 0.152 0.000 1.092 445 L CA -0.222 54.764 54.840 0.244 0.000 0.831 445 L CB 0.581 42.825 42.059 0.308 0.000 1.159 445 L HN 0.871 nan 8.230 nan 0.000 0.442 446 C N 7.044 126.421 119.300 0.128 0.000 2.322 446 C HA 0.655 5.115 4.460 0.001 0.000 0.324 446 C C 0.125 175.144 174.990 0.048 0.000 1.284 446 C CA -0.651 58.417 59.018 0.084 0.000 1.606 446 C CB 0.221 28.000 27.740 0.064 0.000 2.251 446 C HN 0.957 nan 8.230 nan 0.000 0.502 447 R N 3.805 124.323 120.500 0.030 0.000 2.589 447 R HA 0.746 5.086 4.340 0.001 0.000 0.293 447 R C -1.109 175.187 176.300 -0.007 0.000 0.963 447 R CA -0.542 55.556 56.100 -0.004 0.000 0.905 447 R CB 2.072 32.367 30.300 -0.008 0.000 1.144 447 R HN 0.580 nan 8.270 nan 0.000 0.459 448 V N 1.686 121.580 119.914 -0.033 0.000 2.604 448 V HA 0.633 4.753 4.120 0.001 0.000 0.305 448 V C -0.791 175.287 176.094 -0.028 0.000 1.043 448 V CA -0.578 61.703 62.300 -0.032 0.000 0.888 448 V CB 1.791 33.573 31.823 -0.070 0.000 0.995 448 V HN 0.912 nan 8.190 nan 0.000 0.429 449 A N 6.600 129.423 122.820 0.005 0.000 2.506 449 A HA 0.479 4.800 4.320 0.001 0.000 0.320 449 A C 0.802 178.382 177.584 -0.007 0.000 1.424 449 A CA -0.295 51.750 52.037 0.013 0.000 1.044 449 A CB -0.037 19.002 19.000 0.066 0.000 1.140 449 A HN 0.987 nan 8.150 nan 0.000 0.538 450 L N 1.647 122.851 121.223 -0.032 0.000 2.046 450 L HA -0.055 4.286 4.340 0.001 0.000 0.208 450 L C 1.866 178.718 176.870 -0.029 0.000 1.077 450 L CA 0.878 55.693 54.840 -0.043 0.000 0.747 450 L CB -0.287 41.737 42.059 -0.058 0.000 0.896 450 L HN 0.719 nan 8.230 nan 0.000 0.432 451 R N 1.782 122.272 120.500 -0.016 0.000 2.570 451 R HA -0.029 4.311 4.340 0.001 0.000 0.277 451 R C 0.205 176.503 176.300 -0.004 0.000 1.039 451 R CA -0.023 56.071 56.100 -0.009 0.000 1.065 451 R CB 0.364 30.662 30.300 -0.004 0.000 0.964 451 R HN 0.124 nan 8.270 nan 0.000 0.428 452 E N 2.048 122.242 120.200 -0.010 0.000 2.417 452 E HA -0.009 4.342 4.350 0.001 0.000 0.261 452 E C 0.616 177.222 176.600 0.010 0.000 1.000 452 E CA 1.120 57.512 56.400 -0.013 0.000 0.919 452 E CB 0.313 30.001 29.700 -0.020 0.000 0.955 452 E HN 0.867 nan 8.360 nan 0.000 0.455 453 G N 3.263 112.082 108.800 0.031 0.000 2.234 453 G HA2 -0.332 3.628 3.960 0.001 0.000 0.260 453 G HA3 -0.332 3.628 3.960 0.001 0.000 0.260 453 G C 0.408 175.371 174.900 0.106 0.000 0.987 453 G CA 0.453 45.598 45.100 0.075 0.000 0.625 453 G HN 0.645 nan 8.290 nan 0.000 0.532 454 S N -0.394 115.360 115.700 0.090 0.000 2.572 454 S HA 0.549 5.020 4.470 0.001 0.000 0.279 454 S C 1.229 175.889 174.600 0.099 0.000 1.341 454 S CA 0.113 58.351 58.200 0.063 0.000 1.043 454 S CB 0.688 63.908 63.200 0.033 0.000 0.887 454 S HN 0.554 nan 8.310 nan 0.000 0.516 455 L N 4.391 125.608 121.223 -0.009 0.000 2.959 455 L HA 0.330 4.670 4.340 0.001 0.000 0.259 455 L C -0.557 176.291 176.870 -0.037 0.000 1.185 455 L CA -0.187 54.606 54.840 -0.079 0.000 0.998 455 L CB 0.919 42.867 42.059 -0.184 0.000 1.337 455 L HN 0.393 nan 8.230 nan 0.000 0.555 456 V N 1.690 121.597 119.914 -0.012 0.000 2.267 456 V HA 0.009 4.129 4.120 0.001 0.000 0.254 456 V C 1.520 177.612 176.094 -0.003 0.000 1.144 456 V CA 0.042 62.336 62.300 -0.009 0.000 0.992 456 V CB 0.838 32.657 31.823 -0.007 0.000 1.199 456 V HN 0.260 nan 8.190 nan 0.000 0.493 457 V N 1.706 121.619 119.914 -0.002 0.000 3.217 457 V HA 0.034 4.154 4.120 0.001 0.000 0.264 457 V C 0.894 176.978 176.094 -0.018 0.000 1.135 457 V CA 0.296 62.594 62.300 -0.004 0.000 1.142 457 V CB -1.204 30.623 31.823 0.007 0.000 0.754 457 V HN 0.780 nan 8.190 nan 0.000 0.484 458 N N 2.351 121.044 118.700 -0.013 0.000 2.447 458 N HA 0.134 4.874 4.740 0.001 0.000 0.263 458 N C 1.323 176.818 175.510 -0.024 0.000 1.226 458 N CA 0.743 53.785 53.050 -0.014 0.000 0.906 458 N CB 1.091 39.578 38.487 -0.000 0.000 1.060 458 N HN 0.492 nan 8.380 nan 0.000 0.468 459 S N 0.625 116.302 115.700 -0.038 0.000 2.465 459 S HA -0.248 4.222 4.470 0.001 0.000 0.241 459 S C 2.104 176.689 174.600 -0.025 0.000 1.000 459 S CA 1.115 59.285 58.200 -0.050 0.000 0.964 459 S CB -0.809 62.350 63.200 -0.069 0.000 0.763 459 S HN 0.730 nan 8.310 nan 0.000 0.512 460 S N 0.652 116.348 115.700 -0.007 0.000 2.382 460 S HA 0.194 4.664 4.470 0.001 0.000 0.228 460 S C 1.510 176.112 174.600 0.003 0.000 1.027 460 S CA 1.470 59.673 58.200 0.005 0.000 0.991 460 S CB -0.602 62.608 63.200 0.016 0.000 0.823 460 S HN 0.940 nan 8.310 nan 0.000 0.469 461 Q N -0.349 119.450 119.800 -0.002 0.000 2.932 461 Q HA 0.559 4.900 4.340 0.001 0.000 0.248 461 Q C 0.622 176.616 176.000 -0.011 0.000 0.982 461 Q CA -0.043 55.760 55.803 -0.001 0.000 0.730 461 Q CB -0.510 28.232 28.738 0.007 0.000 1.249 461 Q HN 1.963 nan 8.270 nan 0.000 0.476 462 G N 0.285 109.073 108.800 -0.019 0.000 2.198 462 G HA2 0.068 4.028 3.960 0.001 0.000 0.257 462 G HA3 0.068 4.028 3.960 0.001 0.000 0.257 462 G C 0.558 175.432 174.900 -0.043 0.000 1.042 462 G CA 0.436 45.518 45.100 -0.030 0.000 0.791 462 G HN 1.717 nan 8.290 nan 0.000 0.502 463 G N -0.790 107.979 108.800 -0.053 0.000 2.356 463 G HA2 0.843 4.804 3.960 0.001 0.000 0.322 463 G HA3 0.843 4.804 3.960 0.001 0.000 0.322 463 G C 0.329 175.167 174.900 -0.103 0.000 1.125 463 G CA 0.229 45.290 45.100 -0.064 0.000 0.885 463 G HN 1.191 nan 8.290 nan 0.000 0.467 464 G N -0.417 108.318 108.800 -0.109 0.000 2.949 464 G HA2 0.803 4.763 3.960 0.001 0.000 0.285 464 G HA3 0.803 4.763 3.960 0.001 0.000 0.285 464 G C -0.420 174.420 174.900 -0.101 0.000 1.395 464 G CA -0.046 44.970 45.100 -0.140 0.000 0.901 464 G HN 1.054 nan 8.290 nan 0.000 0.519 465 T N -2.056 112.464 114.554 -0.057 0.000 2.930 465 T HA 0.804 5.155 4.350 0.001 0.000 0.290 465 T C -0.637 174.063 174.700 -0.000 0.000 1.052 465 T CA -0.789 61.325 62.100 0.022 0.000 1.017 465 T CB 2.524 71.447 68.868 0.091 0.000 1.137 465 T HN 0.507 nan 8.240 nan 0.000 0.511 466 K N 0.206 120.622 120.400 0.025 0.000 2.480 466 K HA 0.494 4.815 4.320 0.001 0.000 0.258 466 K C -1.389 175.305 176.600 0.157 0.000 0.990 466 K CA -0.944 55.293 56.287 -0.083 0.000 0.857 466 K CB 2.005 34.412 32.500 -0.155 0.000 1.384 466 K HN 0.721 nan 8.250 nan 0.000 0.446 467 D N 0.701 121.203 120.400 0.171 0.000 2.302 467 D HA 0.160 4.800 4.640 0.001 0.000 0.248 467 D C -1.028 175.295 176.300 0.038 0.000 1.094 467 D CA 0.216 54.359 54.000 0.239 0.000 0.897 467 D CB 1.131 42.168 40.800 0.396 0.000 1.200 467 D HN 0.294 nan 8.370 nan 0.000 0.429 468 T N 4.035 118.672 114.554 0.137 0.000 2.772 468 T HA 0.259 4.609 4.350 0.001 0.000 0.288 468 T C -0.653 174.177 174.700 0.217 0.000 0.994 468 T CA -0.610 61.537 62.100 0.078 0.000 0.951 468 T CB 0.302 69.221 68.868 0.085 0.000 0.933 468 T HN 0.239 nan 8.240 nan 0.000 0.447 469 W N 3.461 124.678 121.300 -0.139 0.000 2.335 469 W HA 0.564 5.224 4.660 0.001 0.000 0.307 469 W C -0.611 175.777 176.519 -0.217 0.000 1.117 469 W CA -1.667 55.564 57.345 -0.189 0.000 1.228 469 W CB -0.053 29.220 29.460 -0.313 0.000 1.240 469 W HN 0.375 nan 8.180 nan 0.000 0.468 470 I N 4.395 124.926 120.570 -0.065 0.000 2.330 470 I HA 0.208 4.379 4.170 0.001 0.000 0.289 470 I C 0.156 176.208 176.117 -0.107 0.000 1.001 470 I CA -0.591 60.587 61.300 -0.203 0.000 1.193 470 I CB 0.545 38.150 38.000 -0.659 0.000 1.345 470 I HN 0.037 nan 8.210 nan 0.000 0.461 471 L N 6.446 127.656 121.223 -0.022 0.000 2.380 471 L HA 0.272 4.612 4.340 0.001 0.000 0.273 471 L C 0.882 177.759 176.870 0.013 0.000 1.138 471 L CA -0.500 54.348 54.840 0.014 0.000 0.832 471 L CB 0.206 42.309 42.059 0.074 0.000 1.124 471 L HN 0.572 nan 8.230 nan 0.000 0.454 472 K N 0.000 120.404 120.400 0.006 0.000 2.780 472 K HA 0.000 4.320 4.320 0.001 0.000 0.191 472 K CA 0.000 56.296 56.287 0.014 0.000 0.838 472 K CB 0.000 32.500 32.500 0.001 0.000 1.064 472 K HN 0.000 nan 8.250 nan 0.000 0.543